ΕΣΠΑ 2021-2027
Institute of Chemical Biology
ICB

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Research / Research Disciplines / Structural Biology and Molecular Modeling

NMR Spectroscopy and Molecular Modeling

Dr. Maria Zervou

Group Leader
Dr. Maria ZervouSenior Researcher
Collaborating Faculty Member
Prof. Panagiotis ZoumpoulakisProfessor & Head of the department of Food Science and Technology, University of West Attica, ICB Collaborating Researcher
Scientific Technical Personnel
Eleni SiapiScientific Technical Personnel
Dr. Manolis MatzapetakisScientific Technical Personnel, NMR Spectroscopy Facility Manager
Postdoctoral Researchers
Thalia Tsiaka, PhD, MSc
Vasiliki Andreou, PhD, MSc
Charalambos Fotakis, PhD, MSc
Eftichia Kritsi, PhD, MSc
Constantinos Potamitis, PhD, MSc
PhD candidates
Paraschos Christodoulou, MSc co-supervision with Dr P. Georgiadis
Constantinos Tsiantas, MScco-supervision with Assoc. Prof. P. Zoumpoulakis
Αnnita Katopodi, MScco-supervision with Prof. A. Detsi
MSc students
Eleni Ifanti
Undergraduate students
Vaggelis XanthopoulosInternship
Iliana SantorinakiDiploma thesis

Mission statement

  • To accelerate early drug discovery
  • To identify natural bioactive compounds
    Means to accomplish this mission

    • in silico methods including pharmacophore modelling, virtual screening, molecular docking, molecular dynamics simulations, ADMET predictions
    • bioNMR screening for hit validation and recognition of the binding site(s)
  • Biomarker discovery and high throughput fingerprinting using Metabolomics profiling
    Means to accomplish this mission

    • NMR-based and LC-MS based untargeted/targeted metabolomics coupled with multivariate statistical analysis tools

Main Research Directions / Ongoing Research Activities

Novel approaches to accelerate early drug discovery

Sites of interactions of BNN27 at the p75NTR/NGF 1:2 and p75NTR/ proNGF 2:2 complexes. MD simulations revealed the spontaneous penetration of the neurosteroid at the indicated hot spots

Identification of the sites of interactions of novel neurosteroid analogues which mimic neurotrophin activity and target neurodegenerative conditions and neuroinflammation.

STD-NMR and molecular dynamics simulations have recognized that those microneurotrophins interact with the natural neurotrophins receptors TrkA, p75NTR TrkB and may act synergistically with the native neurotrophins NGF and BDNF. In vitro experiments revealed the synergistic activity.

Binding sites of the neurosteroid BNN27 (in green and yellow) are predicted at TrkA:NGF 2:2 complex interface. The bound ligand reinforces the crucial protein-protein interactions.

  • Pediaditakis, I.; Kourgiantaki, A.; Prousis, K. C.; Potamitis, C.; Xanthopoulos, K.P. ; Zervou, M.; Calogeropoulou, T.; Charalampopoulos,  I.; Gravanis, A. BNN27, a 17-Spiroepoxy Steroid Derivative, Interacts With and Activates p75 Neurotrophin Receptor, Rescuing Cerebellar Granule Neurons from Apoptosis. Frontiers in Pharmacology 2016, 7, art. 512
    doi: 10.3389/fphar.2016.00512
  • Pediaditakis, I.; Efstathopoulos, P.; Prousis, K. C.; Zervou, M.; Arévalo, J. C.; Alexaki, V. I.; Nikoletopoulou, V.; Karagianni, E.; Potamitis, C.; Tavernarakis, N.; Chavakis, T.; Margioris, A. N.; Venihaki, M.; Calogeropoulou, T.; Charalampopoulos,  I.; Gravanis, A. Selective and differential interactions of BNN27, a novel C17-spiroepoxy steroid derivative, with TrkA receptors, regulating neuronal survival and differentiation. Neuropharmacology 2016, 111, 266-282
    doi: 10.1016/j.neuropharm.2016.09.007
  • Calogeropoulou T., Avlonitis N., Minas V., Alexi X., Pantzou A., Charalampopoulos I., Zervou M., Vergou V., Katsanou E. S., Lazaridis I., Alexis M., Gravanis A. Novel DHEA Derivatives with Anti-Apoptotic Neuroprotective activity. J. Medicinal Chemistry 2009, 52 ,21,  6569–6587
    doi:10.1021/jm900468p

Dr T. Calogeropoulou, Medicinal Chemistry, ICB/NHRF, Prof. Achilleas Gravanis & Assoc. Prof. Ioannis Charalampopoulos, IMBB/FORTH & Department of Pharmacology, Medical School, University of Crete

H2020-MSCA-ITN-2017– EuroNeurotrophin : A European training network for the discovery of neurotrophins small molecule mimetics as potential therapeutic agents for neurodegeneration and neuroinflammation (2018-2021). (Coordinator: Dr T. Calogeropoulou, ICB/NHRF)

DINNESMIN- RESEARCH-CREATE-INNOVATE, EPAnEK-NSRF 2014-2020. “Pre-clinical development ofinnovative Neuroprotective & Neuroregenerative synthetic micro-neurotrophins for the treatment of Alzheimer disease”. (2018-2021)
(Coordinator: Mr. F. Sakellaridis, QUALIA PHARMA / Scientific Responsible: Prof. A. Gravanis, IMBB/FORTH, Univ. of Crete)

Novel nonsteroidal selective glucocorticoid receptor agonists as anti-inflammatory agents

Pharmacophore based virtual screening of Ambinter library revealed a new class of genuine non-steroidal selective GR agonists (SEGRA). The discovered 1,3-benzothiazole analogs bind to GR (Glucocorticoid receptor), do not mediate transactivation of GR target genes thus are devoid of adverse side effects whereas partially repress a number of pro-inflammatory NFKB target genes.

Dr D.J. Mitsiou, Molecular Endocrinology, ICB/NHRF

ΚΡIPIS II– Sthenos-β. Institutional Program. NSRF 2014-2020. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging. Hit-to-lead optimization “. (2017-2019).Coordinator (Dr A. Pintzas, ICB/NHRF)

ΚRIPIS- Sthenos. National Strategic Reference Framework.  Institutional Program. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging” (2013-2016). Coordinator (Dr A. Pintzas, ICB/NHRF)

Νovel purine analogs as cardioprotective and anti-inflammatory agents through JAKs inhibition

Representative binding mode of MK118 obtained from the MD simulation at JAK1. The purine moiety consists a competent hinge binding motif while the terminal nitrate ester develops stable interactions with crucial DFG amino acids.

The anti-inflammatory mechanism of novel purine analogues was investigated in vascular cells with specific emphasis on IL-1β release and NLRP3 inflammasome activation. In vitro studies verified that the analogs exert their action through inhibition of JAK1/3 signaling. In silico evaluation of their interactions in the catalytic site of JAKs revealed the crucial binding interactions and paved the way to future optimization studies.

  • Paramel, G. V.; Lindkvist, M.; Idosa, B.A.; Sebina, L. S.; Kardeby, C.; Fotopoulou, T.; Pournara, D.; Kritsi, E.; Yfanti, E.; Zervou, M.; Koufaki, M.; Grenegård, M.; Fransén, K. Novel purine analogues regulate IL-1β release via inhibition of JAK activity in human Aortic Smooth Muscle Cells. (Under revision)

Dr A. Pintzas, Dr H. Reis, Dr I. Kostas, Dr C. Arbez-Gindre, Dr P. Georgiadis, Dr V. Pletsa, Dr V. Souliotis, Dr O. Papadodima, Dr A. Chatziioannou, Dr V. Zoumpourlis, Dr T. Calogeropoulou, Dr M. Koufaki, Dr D. Papahatzis, Dr SE Zographos, Dr E. Chrysina.

ΚΡIPIS II– Sthenos-β. Institutional Program. NSRF 2014-2020. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging. Hit-to-lead optimization “. (2017-2019). Coordinator (Dr A. Pintzas, ICB/NHRF) ΚRIPIS- Sthenos. National Strategic Reference Framework. Institutional Program. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging” (2013-2016). Coordinator (Dr A. Pintzas, ICB/NHRF)

Novel, selective inhibitors against  BRAFV600E

Optimized pharmacophore model for BRAFV600E inhibitors, comprising one hydrophobic feature (yellow sphere), three hydrogen bond acceptor features (red arrows) and a number of exclusion volumes (grey spheres). Vemurafenib is fitted to the model

  • Pharmacophore-based virtual screening (VS) identified two hits considerably selective against BRAFV600E over wt-BRAF
  • Hit-to lead optimization in progress
  • Extensive MD simulations probe to a paradox breaker profile for hit1 thus less prone to resistance

A pharmacophore-based virtual screening (VS) based on the crystal complex BRAFV600E:Vemurafenif has been conducted against Mcule library. Two hits featuring 1,3-benzothiazole amide (hit 1) and pyrazole-pyridine (hit 2) scaffolds were identified as considerably selective against BRAFV600E over wtBRAF. Their effect on colon cancer cell lines, bearing the BRAFV600E mutation and melanoma cell lines homozygous or heterozygous for the BRAFV600E mutation or wtBRAF cell lines bearing RAS mutation was determined issuing promising results.  Extensive MD simulations showed that a “paradox breaking” type of conformational destabilization occurs in hit1:BRAF complex, similar to the protein complex with the known paradox breaker PLX7904. The 1,3-benzothiazole amide scaffold served as starting point for “hit to lead” optimization.

Detailed pathway analysis has determined a notable differential regulation of major pathways induced by the paradox breakers as compared with the approved therapeutics paving the way towards more effective combinatorial treatments and assisting the optimization of the new hits.

  • Koumaki, K.; Kontogianni, G.; Kosmidou, V.; Pahitsa, F.; Kritsi, E.; Zervou, M.; Chatziioannou, A.; Souliotis, V. L.; Papadodima, O.; Pintzas, A. BRAF paradox breakers PLX8394, PLX7904 are more effective against BRAFV600Ε CRC cells compared with the BRAF inhibitor PLX4720 and shown by detailed pathway analysis. Biochimica et Biophysica Acta (BBA) – Molecular Basis of Disease 2021 Vol. 1867, 166061 doi:10.1016/j.bbadis.2020.166061

Dr D.J. Mitsiou, Molecular Endocrinology, ICB/NHRF

ΚΡIPIS II– Sthenos-β. Institutional Program. NSRF 2014-2020. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging. Hit-to-lead optimization “. (2017-2019).Coordinator (Dr A. Pintzas, ICB/NHRF)

ΚRIPIS- Sthenos. National Strategic Reference Framework.  Institutional Program. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging” (2013-2016). Coordinator (Dr A. Pintzas, ICB/NHRF)

  • Dynamic formation of an acylhydrazone library
  • Enzymatic selection of the best inhibitors to endothiapepsin by 1H-STD-NMR

A series of hydrazides and aldehydes were used for the dynamic formation of an acylhydrazone library. Enzymatic selection of the best inhibitors to endothiapepsin, a model system for aspartic proteases, was implemented by 1H-STD-NMR analysis.
The  potency of the identified by 1H STD acylhydrazones inhibitors was further verified from the HIV protease in vitro assay.

Prof. A. K. H. Hirsch, Stratingh Institute for Chemistry, University of Groningen

Novel approaches towards the identification of natural bioactive compounds

This modular approach seeks to identify new binders and their site of interaction at the Anopheles gambiae mosquito odorant binding proteins towards the development of new natural repellents targeting malaria transmission.

Highlights

  • Sequence specific NMR assignment of the Anopheles gambiae mosquito Odorant Binding Protein 1 (AgamOBP1)
  • In silico docking studies to evaluate the binding affinity of candidate ligands
  • Screening of candidate ligands against AgamOBP1 through 1H STD NMR
  • 15N HSQC Chemical shift perturbation assay to locate the binding site(s) and binding modes of new ligands
  • Identification of new odorants of natural origin

Chemical shift perturbations map upon addition of the candidate ligand to AgamOBP1. Overlay of 1H/15N-HSQC spectra of AgamOBP1 in the apo form (in red) and in the presence of the ligand (in blue). Significantly perturbed amino acids reveal the binding site information

  • Drakou, C. E.; Tsitsanou, K. E.; Potamitis, C.; Fessas,  D.; Zervou, M.; Zographos, S. E. The crystal structure of the AgamOBP1•Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition. Cellular and Molecular Life Sciences 2017 74, 319-338.
    doi: 10.1007/s00018-016-2335-6

Dr S.E. Zographos, Structural Biology and Chemistry, ICB/NHRF, Dr S. Golic Grdadolnik, National Institute of Chemistry, Ljubljana, Slovenia, Prof V. Roussis and Assoc. Prof. E. Ioannou, Section of Pharmacognosy and Natural Product Chemistry, Department of Pharmacy, University of Athens.

The derived hits stabilize crucial interactions at the hDNMT1 and hDNMT3A catalytic site.Binding poses of representative selected natural compounds docked at hDNMT1 (A & B) and at hDNMT3A (C & D)

We have initiated an attempt to discover novel inhibitors of natural origin against DNMTs (DNA methyltransferases). DNMTs are considered important inhibition targets for cancer treatment while the current FDA approved inhibitors include nucleoside analogs resulting in high toxicity in cells. A series of prioritized from virtual screening compounds displayed DNA methyltransferase inhibition in the range 20-40 % at 100 uΜ. The biological evaluation of the selectivity of the most promising compounds against DNMT1 and DNMT3A enzyme isoforms is in progress.

Dr P. Georgiadis & Dr V. Pletsa, ICB/NHRF

State Scholarships Foundation (ΙΚΥ). “Combined methodology for the discovery of epigenetic inhibitors”. Fellowship awarded to Dr. E. Kritsi in the context of the project “Reinforcement of Postdoctoral Researchers – 2nd Cycle” (MIS-5033021). (2020- 2021)

Biomarker discovery and high throughput fingerprinting using Metabolomics profiling

Gut metabolic signatures to highlight the health impact of β-glucan-rich edible mushrooms

We have already explored the NMR metabolic profiling of intestinal microbiota fermentation product following treatment with extracts of mushrooms of high β-glucan content and highlighted biomarkers associated with their health-promoting effects. The study comprises also serum and fecal slurry from human subjects following an intervention study (in progress).
The metabolomics datasets will be combined with metagenomic gene abundance data, in an effort to clarify the complex interactions between the endogenous human metabolome and the intestinal microbial metabolome and further explore the potential prebiotic effect of high β-glucan mushrooms.

We expect that this study would lead to a data fusion platform, which will serve as an actionable intelligence in future multi-OMICS approaches.

OPLS-DA model discriminating 1H NMR profiling of the pre- and post-fermentation fecal slurry samples following treatment with extracts of Pleurotus Ostreatus, Pleurotus Eryngii and Cyclocybe cylindracea strains. The generated S-line plot enables the visualization of the most discriminative metabolites. Resonance lines with positive values correspond to the most characteristic metabolites for the post-fermentation supernatants, and those with negative values constitute the most discriminative for the pre-fermented supernatants.

  • Boulaka, A.; Christodoulou, P.; Vlassopoulou, M.; Koutrotsios, G.; Bekiaris, G.; Zervakis, G.I.; Mitsou, E. K.; Saxami, G.; Kyriacou, A.; Zervou, M.; Georgiadis, P.; Pletsa, V. Geno- protective properties and metabolites of β-glucan-rich edible mushrooms following their in vitro fermentation by human fecal microbiota. Molecules (2020) 25, 3554; doi:10.3390/molecules25153554

Dr P. Georgiadis and Dr V. Pletsa, ICB/ NHRF, Prof. A. Kyriacou, Department of Nutrition and Dietetics, Harokopio University, Prof. G.I. Zervakis, Department of Crop Science, Agricultural University of Athens.

FunGlucan– RESEARCH-CREATE-INNOVATE, EPAnEK-NSRF 2014-2020. “Development of a novel functional food enriched with β-glucan isolated from edible mushrooms from Greek habitats “ (2018-2022). (PI/NHRF: Dr V. Pletsa)

Multifunctional Vit-D, polyphenol and β-glucan-rich mushroom snack and impact to metabolome profiling of healthy and overweight individuals

This project foresees the development and production of an innovative mushroom snack  enriched in β-glucans, antioxidants, essential amino acids and with the recommended daily dose of vitamin D. Following an intervention study to overweight individuals, the beneficial effect of the multifunctional food in the regulation of cardiometabolic markers will be elucidated as well as its impact in the serum metabolic profile.

Assoc. Prof. George Zervakis (Agricultural University of Athens), Prof. Nikolaos Calogeropoulos, Assoc. Prof. Andrianna Kaliora (Harokopio University)

ΑgroWasteForNutritiousMushrooms– RESEARCH-CREATE-INNOVATE, EPAnEK-NSRF 2014-2020. “Valorization of agricultural by-products as new substrates for the production of Pleurotus mushrooms with high nutritional value – Development and clinical evaluation of an innovative polyvalent functional food (“mushroom snack”) with enhanced content in bioactive compounds (vitamin D and antioxidants).(2018-21). (PI/NHRF: Dr. P. Zoumpoulakis)

Νovel dietary supplementation for osteoporosis activating the intestinal microbiome

It is well proven that the intestinal microbe regulates bone metabolism by the absorption of calcium and other metallic trace elements. Studies also show that regulation of the intestine and its microbe can affect bone density and resistance to a variety of animal models and humans. At the same time, interest in polyphenol-intestinal microbial interactions and in particular flavonoids and catechins has increased.

OSTEOME aspires to design and develop a novel dietary supplement for osteoporosis, activating the intestinal microbiome. The selection of flavonoids will take place through in vitro and in silico studies focusing on their interaction with pathways that regulate the activity of osteoclasts and osteoblasts. The efficacy and tolerability of the dietary supplement will be evaluated through a randomized clinical intervention.

Dr P. Georgiadis, Dr V. Pletsa, Dr T. Katsila (NHRF),  Assoc. Prof. Efstathios Chronopoulos, MD (National and Kapodistrian University of Athens), George Trovas, Endocrinologist (KAT General Hospital), Tatiana Drakopoulou (Skeletal Health Association), Nikos Bardakis (Life NLB), Dr Minos Matsoukas (Cloudpharm PC).

ΟSTEOME RESEARCH-CREATE-INNOVATE, EPAnEK-NSRF 2014-2020 (2nd cycle). Design and development of a dietary supplement for osteoporosis based on gut microbiome mechanisms. Efficacy and Tolerability assessment. (2020-22) (Coordinator: Dr. P. Zoumpoulakis)
https://osteome.eu/

Highlights

  • NMR-omics towards the authenticity of grape derived products
  • Metabolic markers associated with genotypic, environment or production procedures are highlighted
  • Application towards the fortification of a product’s authenticity claim.

Geographical and genotypic discrimination of Greek traditional beverages tsipouro and tsikoudia. NMR omics platform successfully classified Greek grape mark spirits according to their provenance, incorporating also varietal information and succeeded in recognizing characteristic metabolites associated with genotypic and environmental influence or production practices

Laurencia alga consists a prolific source of metabolites exhibiting antibacterial, insecticidal and cytotoxic activity.
An integrated platform based on UPLC-Orbitrap-MS and 2D HSQC NMR including sophisticated s/w tools and databases has been developed to assess the global metabolic profile of Laurencia crude algal extracts.
This combined screening strategy can be effectively used as a tool for targeted isolation of new metabolites. Moreover, an in house library of Laurencia metabolites has been developed which can be used for virtual screening purposes against biological targets.

  • Kokkotou, K.; Ioannou, E.; Nomikou, M.; Pitterl, F.; Vonaparti, A.; Siapi, E.; Zervou, M.*; Roussis, V.*  An integrated approach using UHPLC–PDA–HRMS and 2D HSQC NMR for the metabolic profiling of the red alga Laurencia: Dereplication and tracing of natural products. Phytochemistry (2014) 108, 208–219
    doi: 10.1016/j.phytochem.2014.10.007

Prof. V. Roussis, Assoc. Prof. E. Ioannou, School of Health Sciences, Department of Pharmacy, Section of Pharmacognosy and Natural Product Chemistry, National & Kapodistrian University of Athens

Education & Training

  • Paraschos Christodoulou, MSc. Academic host: Department of Biochemistry & Biotechnology, University of Thessaly.  “Effect of fungicidal b-glucans from natural resources on the genomic and metabolomic fingerprint of gastro-intestinal microbiome” (in progress)
  • Konstantinos Tsiantas, MSc. Academic host: Department of Food science & Technology, University of West Attica. “Investigation of the effect of bioactive ingredients on the human intestinal microbiome using holistic and targeted analytical approaches” (in progress)
  • Annita Katopodi, MSc. Academic host: National and Technical University of Athens, School of Chemical Engineering, Department of Chemical Sciences. “Design and synthesis of new coumarin analogues and nanotechnological approaches for their potential use in pharmaceutical applications” (in progress)
  • Dimitra Lantzouraki, MSc. Academic host: National and Kapodistrian University of Athens, Department of Chemistry. “Study of Bioactive Constituents of Hen Egg Yolks After Receiving Enriched Feeds”. (awarded in 2021)
  • Thalia Tsiaka, MSc.Academic host: National and Kapodistrian University of Athens, Department of Chemistry. Development and Validation of LC-MS and NMR methods for the Qualitative and Quantitative Determination of Carotenoids in Food and Byproducts (awarded in 2020)
  • George Moros, MSc. Academic host: University of Thessaly, Department of Biochemistry and Biotechnology. “Identification of biomarkers related to Intrauterine Growth Restriction using metabolomics”. (awarded in 2020)
  • A. Kokkotou, MSc.  Academic host: School of Health Sciences, Department of Pharmacy, National & Kapodistrian University of Athens. “Metabolomics Study of Rhodophytes of Laurencia species with the use of high- throughput holistic techniques such as HR-NMR and HR-LC-MS”.  (awarded in 2019).

  • Inter-institutional M.Sc. BIOENTREPRENEURSHIP co-organized by the Department of Biochemistry & Biotechnology, University of Thessaly and NHRF
  • Inter-institutional M.Sc. program “ONCOLOGY: from oncogenesis to therapy” co-organized by the University of Crete, Medical School and NHRF

  • BIOINFORMATICS M.Sc. Programme organized by the Faculty of Biology, National and Kapodistrian University of Athens.
  • “Applied Nutrition and Dietetics” M.Sc. Programme, course Metabolomics, organized by the Harokopio University of Athens
  • “Food Innovation, Safety and Quality” M.Sc. Programme, course Analytical Chemistry and Metabolomics. University of West Attica, Department of Food Science and Tehcnology.

BIOENTREPRENEURSHIP Post-graduate Programme

  • Athanassios Demeslis, “OliveSmart: Real-Time Quality Control of Olive Oil in Retail”, in collabotation with Myrolion company (awarded 2022)
  • Aggeliki Vassilopoulou, “Design, Development and Evaluation of Functional Products: a. with Probiotics, b. High Protein, c. with Antioxidant Activity”,in collabotation with Giotis SA (awarded 2021)
  • Marianna Georgoulaki, “Novel food bioactive ingredients, applications in food technology and commercialization analysis”, in collabotation with Giotis SA (awarded 2019)
  • Vasiliki Papanikolaou, “Digital Marketing in clinical trials (reducing the time and cost for a pharmaceutical company)” (awarded 2019)
  • Nikolaos Papadopoulos, “Virgin olive oil for margarine production: Feasibility study for the olive oil production and marketing company El Renieris & Co S.A.”, in collaboration with El Renieris & Co S.A. (awarded 2018)

ONCOLOGY: From Oncogenesis to Therapy

  • Christos Markatos, “Natural Porducts as Epigenetic Modulators with implication in Cancer”(co-supervised with Dr E. Kritsi) (awarded 2021)
  • Maria Ioanna Ragkousi, “From a molecular fingerprint toward companion diagnostics using high throughput technologies” (co-supervised with Dr Th. Katsila) (awarded 2021).

BIOINFORMATICS M.Sc. Programme, Faculty of Biology, National & Kapodistrian University of Athens

  • Eleni Ifanti, “In silico design of novel compounds against vascular inflammation and thrombosis”. (in progress)
  • Stavroula Douna, “Selective inhibitors of the BRAFV600E oncoprotein through similarity search, in silico docking and in vitro assays” (awarded 2021)
  • Kleanthis Xanthopoulos, “Molecular modelling approaches towards the optimization of novel synthetic neurosteroids with agonistic activity at neurotrophin receptors” (awarded 2018)
  • Nikiforos Travlos, “Virtual screening for the identification of novel nonsteroidal selective glucocorticoid receptor agonists” (awarded 2018)
  • Michael Evgeniou, “In silico studies towards new selective inhibitors of the oncoprotein BRAFV600E” (awarded 2018)
  • Fotini Lafazanidi, “Virtual screening  for the identification of new selective inhibitors of the oncoprotein BRAFV600E” (awarded 2018)

Collaborations with private entities

  • Yotis S.A
  • Rontis Hellas S.A.
  • QUALIA PHARMA
  • Cloudpharm
  • Dirfis mushrooms

Collaborations with Universities, Research Institutes and public entities

  • Department of Chemistry, Organic Chemistry, National & Kapodistrian University of Athens (Prof. T. Mavromoustakos)
  • IMBB/FORTH & Department of Pharmacology, Medical School, University of Crete (Prof. Achilleas Gravanis, Assoc. Prof. Ioannis Charalampopoulos)
  • School of Health Sciences, Department of Pharmacy, Section of Pharmacognosy and Natural Product Chemistry, National & Kapodistrian University of Athens (Prof. Vassilios Roussis, Assoc. Prof. Efstathia Ioannou)
  • School of Chemical Engineering, Department of Chemical Sciences, National & Technical University of Athens (Prof. Anastasia Detsi)
  • Cardiovascular Research Centre, School of Medical Sciences, Örebro University, Örebro, Sweden (Prof. Karin Fransén, Prof. Magnus Grenegård)
  • National Institute of Chemistry, Ljubljana, Slovenia (Dr. Simona Golic Grdadolnik)
  • Department of Nutrition and Dietetics, Harokopion University (Assoc. Prof. Adamantini Kyriacou, Prof. George Dedousis)
  • State General Laboratory, Ministry of Health, Cyprus (Dr Rebecca Kokkinofta)

Collaborations with ICB staff

Active collaborations with all ICB research groups

National projects

  • KΡIPIS II– Sthenos-β. “Targeted therapeutic approaches against degenerative diseases-conditions with emphasis in cancer and aging. Hit-to-lead optimization “. Grant num: ΟΠΣ (MIS) 5002398  Institutional Program. Funding Agency: NSRF 2014-2020.
    Duration: 11/2017-06/2021 (coordinated by Dr. A. Pintzas)
  • DINNESMIN- “Pre-clinical development of innovative Neuroprotective & Neuroregenerative synthetic micro-neurotrophins for the treatment of Alzheimer disease”. Grant num: Τ1ΕΔΚ-03186Funding Agency: ΕΥΔΕ – ΕΤΑΚ, Programme: Research-Create-Innovate.
    Duration: 9/2018-8/2021 (coordinated by Dr. T. Calogeropoulou)
  • INSPIRED:  A National Research Infrastructure on Integrated Structural Biology, Drug Screening efforts and Drug-target functional characterization. Grant num:  MIS: 5002550  Funding Agency: EPAnEK 2014-2020, Operational Programme Competitiveness Entrepreneurship Innovation. Duration: 2017-2022 (coordinated by Dr. E. Chrysina)
  • State Scholarships Foundation (ΙΚΥ). “Combined methodology for the discovery of epigenetic inhibitors”. Fellowship awarded to Dr. E. Kritsi in the context of the project “Reinforcement of Postdoctoral Researchers – 2nd Cycle”. Grant num: MIS-5033021.
    Duration: 16/2/2020 -15/2/2022. (Academic supervisor: Dr. M. Zervou)
  • ΑgroWaste ForNutritiousMushrooms-“Valorization of agricultural by-products as new substrates for the production of Pleurotus mushrooms with high nutritional value – Development and clinical evaluation of an innovative polyvalent functional food (“mushroom snack”) with enhanced content in bioactive compounds (vitamin D and antioxidants).Grant num: Τ1ΕΔΚ-02560. Funding Agency: ΕΥΔΕ – ΕΤΑΚ, Programme: Research-Create-Innovate.
    Duration: 2018-2022. (PI: Dr. P. Zoumpoulakis)
  • OSTEOME. “Design and development of a novel food supplement for osteoporosis based on gut microbiome mechanisms. Efficacy and tolerability assessment.” Grant num: Τ2ΕΔΚ-03847. Funding Agency: ΕΥΔΕ – ΕΤΑΚ, Programme: Research-Create-Innovate. Duration: 2020-2023
    (coordinated by Dr. P. Zoumpoulakis)
  • Metabothyro. “Metabolic fingerprinting a mother’s colostrum with hypothyroidism in the lactation stage”. MIS Number: 5049508. Funding Agency: Operational Programme «Human Resources Development, Education and Lifelong Learning 2014-2020».
    Duration: 2020-2022.  (Academic supervisor: Dr. P. Zoumpoulakis)

European projects

  • EuroNeurotrophin: A European training network for the discovery of neurotrophins small molecule mimetics as potential therapeutic agents for neurodegeneration and neuroinflammation. Grant agreement ID: 765704. Funding Agency: H2020-MSCA-ITN-2017. Duration: 01.01.2018 – 31.03.2022. (coordinated by Dr. T. Calogeropoulou)

Scientific services contracts

  • Sub-contractor for NMR and LC-MS metabolic profiling services within the frame of “NAFLD diagnosis-prognosis” project: “Non-alcoholic fatty liver infiltration (NAFLD): analysis of genetic, metabolomic and environmental data)” coordinated by Prof G. Dedousis, Harokopio University, Grant num: MIS 50067535, Funding Agency: ΕΥΔΕ – ΕΤΑΚ, Programme: Research-Create-Innovate.   Duration: 2021-2022
  • “Metagenomic and Metabolomic profile of infants’ feces who are exclusively breast-fed comparatively to those exclusively fed with infant formural enriched in synbiotics”, Duration: 2021-2022, Funding: Rontis Hellas S.A.
  • NMR spectroscopy services to Universities: a/ School of Chemical Engineering, Department of Chemical Sciences, National & Technical University of Athens b/ School of Health Sciences, Department of Pharmacy, National & Kapodistrian University of Athens

Selected peer-review publications of the team

  • Koumaki, K.; Kontogianni, G.; Kosmidou, V.; Pahitsa, F.; Kritsi, E.; Zervou, M.; Chatziioannou, A.; Souliotis, V. L.; Papadodima, O.; Pintzas, A. BRAF paradox breakers PLX8394, PLX7904 are more effective against BRAFV600Ε CRC cells compared with the BRAF inhibitor PLX4720 and shown by detailed pathway analysis. Biochimica et Biophysica Acta (BBA) – Molecular Basis of Disease 2021 Vol. 1867, 166061
    doi:10.1016/j.bbadis.2020.166061
  • Magoulas, G.E.; Kalopetridou, L.; Ćirić, A.; Kritsi, E.; Kouka, P.; Zoumpoulakis, P.; Chondrogianni, N.; Soković, M.; Prousis, K.C.; Calogeropoulou, T. Synthesis, biological evaluation and QSAR studies of new thieno[2,3-d]pyrimidin-4(3H)-one derivatives as antimicrobial and antifungal agents. Bioorganic Chemistry (2021) 106, art. no. 104509
    DOI: 10.1016/j.bioorg.2020.104509
  • Kostopoulou, I.; Tzani, A.; Polyzos, N.I.; Karadendrou, M.A.; Kritsi, E.; Pontiki, E.; Liargkova, T.; Hadjipavlou-Litina, D.; Zoumpoulakis, P.; Detsi, A. Exploring the 2′-hydroxy-chalcone framework for the development of dual antioxidant and soybean lipoxygenase inhibitory agents. Molecules (2021) 26 (9), art. no. 2777
    DOI: 10.3390/molecules26092777
  • Kostopoulou, I.; Diassakou, A.; Kavetsou, E.; Kritsi, E.; Zoumpoulakis, P.; Pontiki, E.; Hadjipavlou-Litina, D.; Detsi, A. Novel quinolinone–pyrazoline hybrids: synthesis and evaluation of antioxidant and lipoxygenase inhibitory activity. Molecular Diversity (2021) 25 (2), 723-740;
    DOI: 10.1007/s11030-020-10045-x
  • Zoidis, G.; Kritsi, E.; Lecinska, P.; Ivanov, M.; Zoumpoulakis, P.; Sokovic, M.; Catto, M. The Triazole Ring as a Privileged Scaffold for Putative Antifungals: Synthesis and Evaluation of a Series of New Analogues. ChemMedChem (2021) 16(1), 134-144.
    DOI: 10.1002/cmdc.202000312
  • Kostopoulou, I.; Diassakou, A.; Kavetsou, E.; Kritsi, E.; Zoumpoulakis, P.; Pontiki, E.; Hadjipavlou-Litina, D.; Detsi, A. Novel quinolinone-pyrazoline hybrids: synthesis and evaluation of antioxidant and lipoxygenase inhibitory activity. Mol. Divers. (2021), 25, 730-740
    https://doi.org/10.1007/s11030-020-10045-x
  • Katsila, T.; Chasapi, S.A.; Gomez Tamayo, J.C.; Chalikiopoulou, C.; Siapi, E.; Moros, G.; Zoumpoulakis, P.; Spyroulias, G.A.; Kardamakis, D. Three-dimensional cell metabolomics deciphers the anti-angiogenic properties of the radioprotectant amifostine. Cancers (2021) 13 (12), art. no. 2877
    DOI: 10.3390/cancers13122877
  • Zachmann, J.; Kritsi, E.; Tapeinou, A.; Zoumpoulakis, P.; Tselios, T.; Matsoukas, M.T. Combined Computational and Structural Approach into Understanding the Role of Peptide Binding and Activation of Melanocortin Receptor 4. J. Chem. Inf. Model.  (2020) 60, 1461–1468.
    https://doi.org/10.1021/acs.jcim.9b01196
  • Pournara, D.; Durner, A.; Kritsi, E;, Papakostas, A.; Zoumpoulakis, P.; Nicke, A.; Koufaki, M. (2020). Design, Synthesis, and in vitro Evaluation of P2X7 Antagonists. ChemMedChem (2020) 15(24), 2530–2543.
    doi:10.1002/cmdc.202000303 
  • Potamitis, C.; Siakouli, D.; Papavasileiou, K. D.; Boulaka, A.; Ganou, V.; Roussaki, M.; Calogeropoulou, T.; Zoumpoulakis, P.; Alexis, M. N.; Zervou*, M.; Mitsiou*, D. J. Discovery of New Non-steroidal Selective Glucocorticoid Receptor Agonists. J Steroid Biochemistry and Molecular Biology 2019 142-153
    doi: 10.1016/j.jsbmb.2018.10.007
  • Pediaditakis, I.; Kourgiantaki, A.; Prousis, K. C.; Potamitis, C.; Xanthopoulos, K.P. ; Zervou, M.; Calogeropoulou, T.; Charalampopoulos,  I.; Gravanis, A. BNN27, a 17-Spiroepoxy Steroid Derivative, Interacts With and Activates p75 Neurotrophin Receptor, Rescuing Cerebellar Granule Neurons from Apoptosis. Frontiers in Pharmacology 2016, 7, art. 512
    doi: 10.3389/fphar.2016.00512
  • Pediaditakis, I.; Efstathopoulos, P.; Prousis, K. C.; Zervou, M.; Arévalo, J. C.; Alexaki, V. I.; Nikoletopoulou, V.; Karagianni, E.; Potamitis, C.; Tavernarakis, N.; Chavakis, T.; Margioris, A. N.; Venihaki, M.; Calogeropoulou, T.; Charalampopoulos,  I.; Gravanis, A. Selective and differential interactions of BNN27, a novel C17-spiroepoxy steroid derivative, with TrkA receptors, regulating neuronal survival and differentiation. Neuropharmacology 2016, 111, 266-282
    doi: 10.1016/j.neuropharm.2016.09.007
  • T. F. Kellici, D. Ntountaniotis, E. Kritsi, M. Zervou, P. Zoumpoulakis, C. Potamitis, S. Durdagi, R. Ekhteiari Salmas, G. Ergun, E. Gokdemir, M. Halabalaki, I. P. Gerothanassis, G. Liapakis, A. Tzakos1, T. Mavromoustakos. Leveraging NMR and X-ray Data of the Free Ligands to Build Better Drugs Targeting GPCRs: The Case of AT1R. Current Medicinal Chemistry, 2016, 23, 1, 36-59
    doi: 10.2174/0929867323666151117122116 (Review article)
  • D. Tzeli, P. Kozielewicz, M. Zervou, C. Potamitis, K. Kokkotou, B. Rak, A. Petrou, E.Tsolaki, A. Gavalas, A. Geronikaki, I. D. Petsalakis, P. G. Tsoungas. 2, 2’-Dihydroxybenzophenones and Derivatives. Efficient Synthesis and Structure Endoscopy by DFT and NMR. Credentials as Potent Antiinflammatory Agents. ChemistrySelect 2016, 1, 2426 – 2438
    doi: 10.1002/slct.201600396
  • Mondal, M.; Radeva, N.; Köster, H.; Park, A.; Potamitis, C.; Zervou, M.; Klebe, G.; Hirsch, A. K. H. Structure-Based Design of Inhibitors of the Aspartic Protease Endothiapepsin by Exploiting Dynamic Combinatorial Chemistry.  Angewandte Chemie  Int. Ed. 2014, 53, 3259 –3263
    doi: 10.1002/anie.201309682
  • M. Zervou*, Z. Cournia, C. Potamitis, G. Patargias, S. Durdagi, S. Golic Grdadolnik, T. Mavromoustakos. Insights into the Molecular Basis of Action of the AT1 Antagonist Losartan Using a Combined NMR Spectroscopy and Computational Approach. Biochimica et Biophysica Acta- Biomembranes 2014, 1838, 1031-1046
    doi: 10.1016/j.bbamem.2013.12.012
  • C. Fotakis, G. Megariotis, D. Christodouleas, E. Kritsi,  P. Zoumpoulakis, D. Ntountaniotis, M. Zervou, C. Potamitis, A. Hodzic, G. Pabst,  M. Rappolt, G. Mali, J. Baldus, C. Glaubitz, M. G. Papadopoulos, A. Afantitis, G. Melagraki,  T.Mavromoustakos. Comparative study of the AT1 receptor prodrug antagonist candesartan cilexetil with other sartans on the interactions with membrane bilayers. Biochimica et Biophysica Acta-Biomembanes  2012, 1818, 3107–3120
    doi: 10.1016/j.bbamem.2012.08.009
  • S. Feuillastre, A. S. Chajistamatiou, C. Potamitis, M. Zervou, P. Zoumpoulakis, E. D. Chrysina, JP Praly, S. Vidal. C-Glucosylated malonitrile as a key intermediate towards carbohydrate-based glycogen phosphorylase inhibitors. Biorganic & Medicinal Chemistry  2012,  20(18), 5592-9
    doi:10.1016/j.bmc.2012.07.033
  • C. Fotakis, D. Christodouleas, P. Zoumpoulakis, E. Kritsi, N. P. Benetis, T. Mavromoustakos, H. Reis, A. Gili, M. G. Papadopoulos, M. Zervou*. Comparative Biophysical Studies of Sartan Class Drug Molecules Losartan and Candesartan (CV-11974) with Membrane Bilayers. J. Physical Chemistry B 2011, 115,  19,   6180-6192
    doi: 10.1021/jp110371k
  • Camoutsis C., Geronikaki A., Ciric A., Soković  M. Zoumpoulakis P., Zervou M. Sulfonamide-1,2,4-thiadiazole derivatives as antifungal and antibacterial agents: Synthesis, biological evaluation, lipophilicity, and conformational studies. Chemical Pharmaceutical Bulletin 2010, 58(2), 160-167
    doi: 10.1248/cpb.58.160
  • Calogeropoulou T., Avlonitis N., Minas V., Alexi X., Pantzou A., Charalampopoulos I., Zervou M., Vergou V., Katsanou E. S., Lazaridis I., Alexis M., Gravanis A. Novel DHEA Derivatives with Anti-Apoptotic Neuroprotective activity. J. Medicinal Chemistry 2009, 52 ,21,  6569–6587
    doi:10.1021/jm900468p
  • Ch. Fotakis, D. Christodouleas, P. Chatzigeorgiou, M. Zervou, N. P. Benetis, K. Viras, T. Mavromoustakos. Development of a CP-31P NMR broadline simulation methodology for studying the interactions of antihypertensive AT1 antagonist losartan with phospholipids bilayers.  Biophysical J.  2009, 96, 2227–2236
    doi: 10.1016/j.bpj.2008.11.057
  • C. Potamitis, M. Zervou, V. Katsiaras, P. Zoumpoulakis, S. Durdagi, M.G.Papadopoulos, J. M. Hayes,  S.Golic Grdadolnik, I. Kyrikou, D. Argyropoulos, G. Vatougia, T. Mavromoustakos. Antihypertensive Drug Valsartan in solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in silico Docking and Molecular Dynamics Simulations. J.  Chemical Information and Modelling 2009, 49, 726–739
    doi: 10.1021/ci800427s
  • P. Zoumpoulakis, I. Daliani, M. Zervou, I. Kyrikou, G. Lamprinidis, E. Mikros, T. Mavromoustakos. Losartan’s Molecular Basis of Interaction with Membranes and AT1 Receptor. Chemistry and Physics of Lipids 2003, 125, 13-25
    doi: 10.1016/s0009-3084(03)00053-7
  • I. Kyrikou, N. P. Benetis , P. Chatzigeorgiou, M. Zervou,  K. Viras, C. Poulos, T. Mavromoustakos. Interactions of the dipeptide paralysin β-Ala-Tyr and the aminoacid Glu with phospholipid bilayers.  Biochimica et Biophysica Acta – Biomembranes2008; 1778 (1), 113-124
    doi: 10.1016/j.bbamem.2007.09.019
  • T. Mavromoustakos, A. Kolocouris, M. Zervou, P. Roumelioti, J. Matsoukas and R. Weisemann.  An effort to understand the molecular basis of hypertension through the study of conformational analysis of Losartan and Sarmesin using a combination of NMR spectroscopy and theoretical calculations. J. Medicinal Chemistry 1999, 42:10, 1714-1722
    doi: 10.1021/jm980499w

  • Moros, G.; Boutsikou, T.; Fotakis, C.; Iliodromiti, Z.; Sokou, R.; Katsila, T.; Xanthos, T.; Iacovidou, N.*; Zoumpoulakis, P*. Insights into intrauterine growth restriction based on maternal and umbilical cord blood metabolomics. Scientific Reports (2021) 11, 7824.
    DOI: 10.1038/s41598-021-87323-7
  • Amerikanou, C.; Dimitropoulou, E.; Gioxari, A.; Papada, E.; Tanaini, A.; Fotakis, C.; Zoumpoulakis, P*.; Kaliora, A.C*. Linking the IL-17A immune response with NMR-based faecal metabolic profile in IBD patients treated with Mastiha. Biomedicine and Pharmacotherapy (2021) 138, art. no. 111535,
    DOI: 10.1016/j.biopha.2021.111535
  • Boulaka, A.; Christodoulou, P.; Vlassopoulou, M.; Koutrotsios, G.; Bekiaris, G.; Zervakis, G.I.; Mitsou, E. K.; Saxami, G.; Kyriacou, A.; Zervou, M.; Georgiadis, P.; Pletsa, V. Geno- protective properties and metabolites of β-glucan-rich edible mushrooms following their in vitro fermentation by human fecal microbiota. Molecules (2020) 25, 3554.
    doi:10.3390/molecules25153554
  • Briana, D.D.; Fotakis, C.; Kontogeorgou, A.; Gavrili, S.; Georgatzi, S.; Zoumpoulakis, P.; Malamitsi-Puchner, A. Early Human-Milk Metabolome in Cases of Intrauterine Growth-Restricted and Macrosomic Infants. J. Parenter. Enter. Nutr. (2020) 44, 1510–1518. https://doi.org/10.1002/jpen.1783
  • Tsiaka, T.; Fotakis, C.; Lantzouraki, D.Z.; Tsiantas, K.; Siapi, E.; Sinanoglou, V.J.; Zoumpoulakis, P*. Expanding the Role of Sub-Exploited DOE-High Energy Extraction and Metabolomic Profiling towards Agro-Byproduct Valorization: The Case of Carotenoid-Rich Apricot Pulp. MOLECULES (2020) 25(11), 2702.
    https://doi.org/10.3390/molecules25112702
  • Kokkinofta,  R.; Fotakis,  C.; Zervou, M.; Zoumpoulakis, P.; Savvidou, C.; Poulli, K.; Louka, C.; Economidou,  N.; Tzioni, E.; Damianou, K.; Loupasaki, S.; Kefalas, P. Isotopic and Elemental Authenticity Markers: a Case Study on Cypriot Wines. Food Analytical Methods (2017) 10,  3902–3913
    doi: 10.1007/s12161-017-0959-2
  • Fotakis, C.; Zervou, M*. NMR metabolic fingerprinting and chemometrics driven authentication of Greek grape marc spirits. Food Chemistry (2016) 196, 760–768.
    doi:10.1016/j.foodchem.2015.10.002
  • Kokkotou, K.; Ioannou, E.; Nomikou, M.; Pitterl, F.; Vonaparti, A.; Siapi, E.; Zervou, M.*; Roussis, V.*  An integrated approach using UHPLC–PDA–HRMS and 2D HSQC NMR for the metabolic profiling of the red alga Laurencia: Dereplication and tracing of natural products. Phytochemistry (2014) 108, 208–219
    doi: 10.1016/j.phytochem.2014.10.007
  • Fotakis, C.; Christodouleas, D.; Kokkotou, K.; Zervou, M.*; Zoumpoulakis, P.; Moulos, P.; Liouni, M.; Calokerinos, A. NMR metabolite profiling of Greek grape marc spirits. Food Chemistry (2013) 138, 1837–1846
    doi: 10.1016/j.foodchem.2012.11.128
  • Fotakis, C.; Kokkotou, K.; Zervou, M.*; Zoumpoulakis, P. NMR metabolite fingerprinting in grape derived products: An overview. Food Research International (2013) 54, 1184-1194
    doi: 10.1016/j.foodres.2013.03.032  (Review article)

  • Tsiantas, K.; Tsiaka, T.; Koutrotsios, G.; Siapi, E.; Zervakis, G.I.; Kalogeropoulos, N.; Zoumpoulakis, P.* On the identification and quantification of ergothioneine and lovastatin in various mushroom species: Assets and challenges of different analytical approaches. Molecules (2021), 26 (7), art. no. 1832.
    DOI: 10.3390/molecules26071832
  • Baira, E.; Dagla, I.; Siapi, E.; Zoumpoulakis, P.; Tsarbopoulos, A.; Simitzis, P.; Goliomytis, M.; Deligeorgis, S.G.; Skaltsounis, A. L.; Gikas, E. Development and Validation of a UPLC-ESI(-)-MS/MS Methodology for the Simultaneous Quantification of Hesperidin, Naringin, and their Aglycones in Chicken Tissue Samples. J. AOAC Int. (2020) 103, 83–88. https://doi.org/10.5740/jaoacint.18-0408
    Karavoltsos, S., Sakellari, A., Sinanoglou, V.J., Zoumpoulakis, P., Plavsic, M., Dassenakis, M., Kalogeropoulos, N. Copper Complexing Capacity and Trace Metal Content in Common and Balsamic Vinegars: Impact of Organic Matter. MOLECULES (2020) 25(4), 861. https://doi.org/10.3390/molecules25040861
  • Lantzouraki, D.Z.; Tsiaka, T.; Soteriou, N.; Asimomiti, G.; Spanidi, E.; Natskoulis, P.; Gardikis, K.; Sinanoglou, V.J.; Zoumpoulakis, P.* Antioxidant Profiles of Vitis vinifera L. and Salvia triloba L. Leaves Using High-Energy Extraction Methodologies. J. AOAC Int. (2020) 103, 413–421.
    https://doi.org/10.5740/jaoacint.19-0261
  • C. Fotakis, D. Christodouleas, M. Zervou, K. Papadopoulos, A.C. Calokerinos. Classification of Wines based on different Antioxidant Responses to Spectrophotometric Analytical methods. Analytical Letters (2012) 45 (5-6), 581-591.
    doi: 10.1080/00032719.2011.649456
  • Skendi, C.G. Biliaderis, M.S. Izydorczyk, M. Zervou, P. Zoumpoulakis. Structural variation and rheological properties of water-extractable arabinoxylans from six Greek wheat cultivars. Food Chemistry (2011) 126(2), 526-536
    doi: 10.1021/la104848t
  • T. Mavromoustakos, M. Zervou, G. Bonas, A. Kolocouris, P. Petrakis. A Novel Analytical Method To Detect Adulteration of Virgin  Olive Oil  by Other Oils. J American Oil Chemists’ Society (2000) 77(4) 405-411
    doi: 10.1007/s11746-000-0065-x

  • Gabriel, C.; Vangelis, A. A.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Zervou, M.; Bertmer, M.; Salifoglou, A. Structural-spectrochemical correlations of variable dimensionality crystalline metal organic framework materials in hydrothermal reactivity patterns of binary-ternary systems of Pb(II) with (a)cyclic (poly)carboxylate and aromatic chelator ligands. Crystal Growth and Design (2015) 15, 11, 5310–5326
    doi: 10.1021/acs.cgd.5b00861
  • Vallianatou, K.A.; Frank, D.J.; Antonopoulou, G.; Georgakopoulos, S.; Siapi, E.; Zervou, M.; Kostas, I.D. Rhodium-catalyzed asymmetric olefin hydrogenation by easily accessible aniline- and pyridine-derived chiral phosphites. Tetrahedron Letters (2013) 54, 5, 397-401
    doi:10.1016/j.tetlet.2012.11.023
  • Gabriel, C.P. Raptopoulou, V. Psycharis, A. Terzis, M. Zervou, C. Mateescu, A. Salifoglou. 1D-3D Metal-Organic Lattice Assemblies through Chemical Reactivity and MetalAssisted Ligand Transformations in Ternary Pb(II)-Phenanthroline-(Hydroxy)dicarboxylic Acid Systems. Crystal Growth & Design  (2011) 11, 382-395
    doi: 10.1021/cg100907p
  • Kaliva, M.; Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Voyiatzis, G.; Zervou, M.; Mateescu, C.; Salifoglou, A. A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2.  Inorganic Chemistry (2011)  50, 22,  11423–11436
    doi: 10.1021/ic201204s
  • Gardikis, Y.; Tsoungas, P. G.; Potamitis, C.; Pairas, G.; Zervou, M.; Cordopatis, P. Xanthones in Heterocyclic Synthesis. An Efficient and General Route for the Synthesis of Regioselectively Substituted Phthalazines. Heterocycles (2011) 83, 6, 1291-1302
    doi: 10.3987/COM-11-12168
  • Gardikis, Y.; Tsoungas, P. G.; Potamitis, C.; Zervou, M.; Cordopatis, P. Xanthones in Heterocyclic Synthesis. An Efficient Route for the Synthesis of C-3 o-Hydroxyaryl Substituted 1,2-Benzisoxazoles and Their N-Oxides, Potential Scaffolds for Angiotensin(II) Antagonist Hybrid Peptides.  Heterocycles (2011) 83, 5, 1077-1091
    doi: 10.3987/COM-11-12162
  • Wiecek, J.; Kovala-Demertzi, D.; Ciunik, Z.; Wietrzyk, J.; Zervou, M.; Demertzis, M. Organotin compound derived from 3-hydroxy-2-formylpyridine- semicarbazone. Synthesis, crystal structure and anti-proliferative activity.  Bioinorganic Chemistry and Applications (2010) 2010:718606
    doi: 10.1155/2010/718606
  • Wiecek, J.; Kovala-Demertzi, D.; Ciunik, Z.; Zervou, M.; Demertzis, M. Diorganotin Complexes of a Thiosemicarbazone. Synthesis, Properties, X-Ray Crystal Structure and Antiproliferative Activity of Diorganotin Complexes. Bioinorganic Chemistry and Applications (2010) 2010:867195
    doi: 10.1155/2010/867195
  • Gabriel, M. Kaliva, J. Venetis, P. Baran, I. Rodriguez-Escudero, G. Voyiatzis, M. Zervou, A. Salifoglou. Aqueous V(V)-Peroxo-Amino Acid Chemistry. Synthesis, Structural and Spectroscopic Characterization of Unusual Ternary Dinuclear Tetraperoxo Vanadium(V)-Glycine Complexes. Inorganic Chemistry (2009) 48, 476-487
    doi: 10.1021/ic801427b
  • Georgantas, V.; Kotsakis, N.; Raptopoulou, C.P.; Terzis,  A.; Iordanidis, L.; Zervou, M.; Jakusch, T.; Kiss, T.; Salifoglou, A. Synthetic, structural and solution speciation studies on binary  Al(III)–(carboxy)phosphonate systems. Relevance to the neurotoxic potential of Al(III). Journal of Inorganic Biochemistry (2009) 103  1530–1541
    doi: 10.1016/j.jinorgbio.2009.05.020

Metaboneer

‘Automated metabolite identification from biological fluid 1H NMR spectra’ Filntisi, A.; Fotakis, C.; Asvestas, P.; Matsopoulos, G.K.; Zoumpoulakis, P*; Cavouras, D. Metabolomics (2017) 13, 146
https://link.springer.com/article/10.1007/s11306-017-1286-8

SoftCRM

‘Development of new software for Certified Reference Materials through the wine and ethanols CRMs’.   SoftCRM 2.0 is recommended for evaluation of the stability of the test materials according to ISO Guide 80:2014.
The s/w can be downloaded from the website: http://www.eie.gr/iopc/softcrm/

Relevant publication

Group Leader
Dr. Maria ZervouSenior Researcher
Collaborating Faculty Member
Prof. Panagiotis ZoumpoulakisProfessor & Head of the department of Food Science and Technology, University of West Attica, ICB Collaborating Researcher
Scientific Technical Personnel
Eleni SiapiScientific Technical Personnel
Dr. Manolis MatzapetakisScientific Technical Personnel, NMR Spectroscopy Facility Manager
Postdoctoral Researchers
Thalia Tsiaka, PhD, MSc
Vasiliki Andreou, PhD, MSc
Charalambos Fotakis, PhD, MSc
Eftichia Kritsi, PhD, MSc
Constantinos Potamitis, PhD, MSc
PhD candidates
Paraschos Christodoulou, MSc co-supervision with Dr P. Georgiadis
Constantinos Tsiantas, MScco-supervision with Assoc. Prof. P. Zoumpoulakis
Αnnita Katopodi, MScco-supervision with Prof. A. Detsi
MSc students
Eleni Ifanti
Undergraduate students
Vaggelis XanthopoulosInternship
Iliana SantorinakiDiploma thesis
Information & Contact
Dr. Maria Zervou
Senior Researcher
+30 2107273872