Dr. Nikitas Georgiou, PhD.

Current Position:

1/9/2025-today: Post Doc Researcher at Center For Interdisciplinary Biosciences in Kosice, Slovakia under the project “Consortium for Advanced Protein Biotechnology: A Model to Support Economic Growth and Migrate Brain Drain from Eastern Slovakia” (APBC) funded by the EU NextGenerationEU

Education:

2022- 2025: Ph.D. Study at Department of Chemistry, University of Athens Research Area: Computational Drug Design

01/05/2023-21/07/2023- Erasmus Internship Exchange Program at the National Institute of Chemistry in Ljubliana, Slovenia.

2020-2022: MSc. in “Organic Chemistry and Applications in Chemical Industry”, Department of Chemistry, School of Science, National and Kapodistrian University of Athens

2016-2020: BSc. In Chemistry at National and Kapodistrian University of Athens

Research Interests:

  • Computational Drug Design using Molecular Docking and Molecular Dynamics.
  • NMR experiments combining 1D and 2D spectroscopy.
  • Quantum Chemistry

Languages:

  1. Greek: Mother Tongue
  2. English: C2 (University of Michigan)
  3. French: C1 (Universite Paris-Sorbonne)

Computer Skills:

  1. (2020) Certificate of computer skills, National and Kapodistrian University of Athens
  2. Applications: MS Office, GaussView, MarvinSketch, ChemDraw, SwissADME, pkCSM, Autodock, MestreNova, Maestro
  3. Codes: Gaussian, DESMOND
  4. Programming Languages: Python

Collaborating with programs abroad:

  1. 01/05/2023-21/07/2023 Erasmus Internship exchange program at the National Institute of Chemistry in Ljubliana. Description: Application of NMR spectroscopy to study drug:protein interactions
  2. 11/11/2024-17/11/2024-CERIC program-Study of the formation of nanoparticles comprised of a hybrid-polypeptide with the protein a1-ECDm to treat Myasthenia Gravis (Proposers: Thomas MAVROMOUSTAKOS, Nikitas GEORGIOU, Eirini STAVRAKAKI) https://vuo.elettra.trieste.it/pls/vuo/ceric_vusers.show_print_proposal?PROPID=20242119
  3. 04/03/2024-10/03/2024-CERIC program-Structure assignment of thiosemicarbazones KKI22 and KKI27 (Proposers: Nikitas GEORGIOU, Thomas MAVROMOUSTAKOS) https://vuo.elettra.trieste.it/pls/vuo/ceric_vusers.show_print_proposal?PROPID=20237044
  4. 20/10/2023-28/10/2023- ISIDORE funded program: Potential anti-inflammatory drugs in the University of Utrecht, Netehrlands
  5. 10-17/12/2023- Instruct Funded program:  Chalcones and azathioprine as potential lead molecules against inflammation and Leishmania and Zika Virus diseases in the University of Helsinki, Finland
  6. 10-12/11/2021-CERIC program - NMR experiments in one adduct theiosemicarvazone and one adduct theiocarvohydrazone in Slovenian NMR Centre (Proposers: Nikitas GEORGIOU, Thomas MAVROMOUSTAKOS) (https://vuo.elettra.trieste.it/pls/vuo/ceric_vusers.ftp_proposal_manage?FRM_ID=202 17107

Professional Activity:

  1. (11/07/2022-19/05/2023) Research Associate under the program name: Infrastructure of microbioma applications in systems (FOODBIOMES)-SUBPROJECT 2: FOODBIOMES PI in the University of Ioannina .
  2. (15/08/2023-30/10/2023) Participation in a program as a reseat the University of Crete titled 'Development of Targeted Therapy for Hormone-Dependent Cancers.
  3. (03/2022-09/2022) Scholar with responsibility for designing and performing Organic Chemistry experiments related to Molecular Modeling (2022).
  4. (2021-2025) Supervisor of Undergraduate students in the Laboratory of Organic Chemistry
  5. (2021-2025) Supervisor of undergraduate student’s diploma thesis
  6. 1/7-30/9/2020: Internship in Hellenic Air Force- Quality Control Chemist (Analysis of petrol and oil samples of aircrafts using Instrumental Analysis Method)

 

Book Chapters :

  1.  Zoupanou, N.; Georgiou, N.; Moschovou, K.; Chasapis, C. T.; Kelaidonis, K.; Chavda, V. P.; Mavromoustakos, T.; Matsoukas, J. M.; Apostolopoulos, V. Peptide-Based Vaccines and Altered Peptide Ligands: Multiple Sclerosis Paving the Way. Adv. Vaccin. Technol. Infect. Chronic Dis. A Guid. to Vaccinol. 2024, 63–72. https://doi.org/10.1016/B978-0-443-18564-9.00010-2.

 

  1.    Co-Editor, Quantum Chemistry and its applications, Springer Nature, in preparation.
 

Publications:

(1)      Georgiou, N.; Chontzopoulou, E.; Cheilari, A.; Katsogiannou, A.; Karta, D.; Vavougyiou, K.; Hadjipavlou-Litina, D.; Javornik, U.; Plavec, J.; Tzeli, D. Thiocarbohydrazone and Chalcone-Derived 3, 4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors. ACS omega 2023, 8 (13), 11966–11977.

(2)      Vlachou, M.; Foscolos, A.; Siamidi, A.; Syriopoulou, A.; Georgiou, N.; Dedeloudi, A.; Tsiailanis, A. D.; Tzakos, A. G.; Mavromoustakos, T.; Papanastasiou, I. P. Biophysical Evaluation and In Vitro Controlled Release of Two Isomeric Adamantane Phenylalkylamines with Antiproliferative/Anticancer and Analgesic Activity. Molecules 2021, 27 (1), 7. https://doi.org/10.3390/molecules27010007.

(3)      Georgiou, N.; Chontzopoulou, E.; Cheilari, A.; Katsogiannou, A.; Karta, D.; Vavougyiou, K.; Hadjipavlou-Litina, D.; Javornik, U.; Plavec, J.; Tzeli, D.; Vassiliou, S.; Mavromoustakos, T. Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors. ACS Omega 2022. https://doi.org/10.1021/acsomega.2c07625.

(4)      Georgiou, N.; Kakava, M. G.; Routsi, E. A.; Petsas, E.; Stavridis, N.; Freris, C.; Zoupanou, N.; Moschovou, K.; Kiriakidi, S.; Mavromoustakos, T. Quercetin: A Potential Polydynamic Drug. Molecules 2023, 28 (24), 8141. https://doi.org/10.3390/molecules28248141.

(5)      Georgiou, N.; Apostolou, E. V.; Vassiliou, S.; Tzeli, D.; Mavromoustakos, T. Conformational and Functional Properties of the Bioactive Thiosemicarbazone and Thiocarbohydrazone Compounds. 2025, 1–16.

(6)      Matsoukas, J. M.; Gadanec, L. K.; Zulli, A.; Apostolopoulos, V.; Kelaidonis, K.; Ligielli, I.; Moschovou, K.; Georgiou, N.; Plotas, P.; Chasapis, C. T.; Moore, G.; Ridgway, H.; Mavromoustakos, T. Diminazene Aceturate Reduces Angiotensin II Constriction and Interacts with the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus 2. Biomedicines 2022, 10 (7). https://doi.org/10.3390/biomedicines10071731.

(7)      Georgiou, N.; Katsogiannou, A.; Skourtis, D.; Iatrou, H.; Tzeli, D.; Vassiliou, S.; Javornik, U.; Plavec, J.; Mavromoustakos, T. Conformational Properties of New Thiosemicarbazone and Thiocarbohydrazone Derivatives and Their Possible Targets. Molecules 2022, 27 (8), 2537. https://doi.org/10.3390/molecules27082537.

(8)      Georgiou, N.; Cheilari, A.; Karta, D.; Chontzopoulou, E.; Plavec, J.; Tzeli, D.; Vassiliou, S.; Mavromoustakos, T. Conformational Properties and Putative Bioactive Targets for Novel Thiosemicarbazone Derivatives. Molecules 2022, 27 (14). https://doi.org/10.3390/molecules27144548.

(9)      Georgiou, N.; Tzani, A.; Vavougyiou, K.; Papadopoulos, C.; Eleftheriadis, N.; Šket, P.; Tzeli, D.; Niemi-Aro, T.; Detsi, A.; Mavromoustakos, T. Synthesis of Anti-Inflammatory Drugs’ Chalcone Derivatives and a Study of Their Conformational Properties Through a Combination of Nuclear Magnetic Resonance Spectroscopy and Molecular Modeling. Pharmaceuticals 2025, 18 (1), 88. https://doi.org/10.3390/ph18010088.

(10)    Leonis, G.; Vakali, V.; Zoupanou, N.; Georgiou, N.; Diamantis, D. A.; Tzakos, A. G.; Mavromoustakos, T.; Tzeli, D. Computational and Spectroscopic Analysis of the Quercetin Encapsulation in (2HP-β-CD)2 and (2,6Me-β-CD)2 Complexes. J. Mol. Struct. 2023, 1294 (P2), 136430. https://doi.org/10.1016/j.molstruc.2023.136430.

(11)    Georgiou, N.; Gkalpinos, V. K.; Katsakos, S. D.; Vassiliou, S.; Tzakos, A. G.; Mavromoustakos, T. Rational Design and Synthesis of AT1R Antagonists. Molecules 2021, 26 (10), 2927. https://doi.org/10.3390/molecules26102927.

(12)    Apostolopoulos, V.; Georgiou, N.; Tzeli, D.; Mavromoustakos, T.; Moore, G. J.; Kelaidonis, K.; Matsoukas, M.; Tsiodras, S.; Swiderski, J.; Kate, L.; Zulli, A.; Chasapis, C. T.; Matsoukas, J. M. Bioorganic Chemistry Density Functional Theory and Enzyme Studies Support Interactions between Angiotensin Receptor Blockers and Angiotensin Converting Enzyme-2 : Relevance to Coronavirus 2019. Bioorg. Chem. 2024, 150 (February), 107602. https://doi.org/10.1016/j.bioorg.2024.107602.

(13)    Palli, V.; Leonis, G.; Zoupanou, N.; Georgiou, N.; Chountoulesi, M.; Naziris, N.; Tzeli, D.; Demetzos, C.; Valsami, G.; Marousis, K. D.; Spyroulias, G. A.; Mavromoustakos, T. Losartan Interactions with 2-Hydroxypropyl-β-CD. Molecules 2022, 27 (8), 1–17. https://doi.org/10.3390/molecules27082421.

(14)    Zoupanou, N.; Georgiou, N.; Moschovou, K.; Chasapis, C. T.; Kelaidonis, K.; Chavda, V. P.; Mavromoustakos, T.; Matsoukas, J. M.; Apostolopoulos, V. Peptide-Based Vaccines and Altered Peptide Ligands: Multiple Sclerosis Paving the Way. Adv. Vaccin. Technol. Infect. Chronic Dis. A Guid. to Vaccinol. 2024, 63–72. https://doi.org/10.1016/B978-0-443-18564-9.00010-2.

(15)    Chatzipieris, F. P.; Kokkalis, A.; Georgiou, N.; Petsas, E.; Apostolou, E. V.; Vougioukalakis, G. C.; Mavromoustakos, T. New Prospects in the Inhibition of Monoamine Oxidase-B (MAO-B) Utilizing Propargylamine Derivatives for the Treatment of Alzheimer’s Disease: A Review. ACS Omega 2025, 10 (25), 26208–26232. https://doi.org/10.1021/acsomega.5c00134.

(16)    Georgiou, N.; Chontzopoulou, E.; Routsi, E. A.; Stavrakaki, I. G.; Petsas, E.; Zoupanou, N.; Kakava, M. G.; Tzeli, D.; Mavromoustakos, T.; Kiriakidi, S. Exploring Hypertension: The Role of AT1 Receptors, Sartans, and Lipid Bilayers. ACS Omega 2024, 9 (45), 44876–44890. https://doi.org/10.1021/acsomega.4c06351.

(17)    Petsas, E.; Kiouri, D. P.; Georgiou, N.; Siasos, G.; Mavromoustakos, T.; Chasapis, C. T. Protein–Ligand Interactions in Cardiometabolic Drug Targets: Focus on Weight Loss and Cardioprotection. Molecules 2025, 30 (21), 1–45. https://doi.org/10.3390/molecules30214240.

(18)    Kovač, V.; Huntosova, V.; Fedorova, V.; Georgiou, N.; Lai, J. Z.; Chien, F. C.; Chen, S. J.; Dolenec, F.; Siposova, K. Unraveling the Structure–Activity Relationships of Organometallic Ferrocene-Pyrazole and Ferrocene-Pyrimidine Curcumin Analogues in Amyloid-β Aggregation and Glioblastoma Treatment. Sci. Rep. 2025, 15 (1). https://doi.org/10.1038/s41598-025-23467-0.

(19)    Zoupanou, N.; Papakyriakopoulou, P.; Georgiou, N.; Cheilari, A.; Javornik, U.; Podbevsek, P.; Tzeli, D.; Valsami, G.; Mavromoustakos, T. Spectroscopic Characterization Using 1H and 13C Nuclear Magnetic Resonance and Computational Analysis of the Complex of Donepezil with 2,6-Methyl-β-Cyclodextrin and Hydroxy Propyl Methyl Cellulose. Molecules 2025, 30 (5), 1–17. https://doi.org/10.3390/molecules30051169.

(20)    Petsas, E.; Massios, E.; Georgiou, N.; Cheilari, A.; Papadimitriou, P. K.; Kakava, M. G.; Apostolou, E. V.; Angelonidis, I.; Eleftheriadis, N.; Tzeli, D.; Mavromoustakos, T. In Silico and NMR Studies on Pharmaceutical Compounds with Therapeutic Action against Myasthenia Gravis. J. Biomol. Struct. Dyn. 2025, 0 (0), 1–19. https://doi.org/10.1080/07391102.2025.2532095.

(21)    Mavroeidi, P.; Zorba, L. P.; Tzouras, N. V.; Neofotistos, S. P.; Georgiou, N.; Sahin, K.; Şentürk, M.; Durdagi, S.; Vougioukalakis, G. C.; Mavromoustakos, T. Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed. Molecules 2024, 29 (11), 2486. https://doi.org/10.3390/molecules29112486.

(22)    Tsemperlidou, E.; Georgiou, N.; Tzeli, D.; Karousis, N.; Varvounis, G. Synthesis of New N , N ′‐Diarylureas and Their Theoretical Study as Cannabinoid‐1 Receptor Inhibitors. Chempluschem 2025, 90 (8). https://doi.org/10.1002/cplu.202500270.

(23)    Georgiou, N.; Mavromoustakos, T.; Tzeli, D. Docking, MD Simulations, and DFT Calculations: Assessing W254’s Function and Sartan Binding in Furin. Curr. Issues Mol. Biol. 2024, 46 (8), 8226–8238. https://doi.org/10.3390/cimb46080486.

(24)    Vakali, V.; Papadourakis, M.; Georgiou, N.; Zoupanou, N.; Diamantis, D. A.; Javornik, U.; Papakyriakopoulou, P.; Plavec, J.; Valsami, G.; Tzakos, A. G.; Tzeli, D.; Cournia, Z.; Mauromoustakos, T. Comparative Interaction Studies of Quercetin with 2-Hydroxyl-Propyl-β-Cyclodextrin and 2,6-Methylated-β-Cyclodextrin. Molecules 2022, 27 (17), 1–23. https://doi.org/10.3390/molecules27175490.

(25)    Georgiou, N.; Gouleni, N.; Chontzopoulou, E.; Skoufas, G. S.; Gkionis, A.; Tzeli, D.; Vassiliou, S.; Mavromoustakos, T. Structure Assignment, Conformational Properties and Discovery of Potential Targets of the Ugi Cinnamic Adduct NGI25. J. Biomol. Struct. Dyn. 2021, 0 (0), 1–14. https://doi.org/10.1080/07391102.2021.2017356.

(26)    Georgiou, N.; Karta, D.; Cheilari, A.; Merzel, F.; Tzeli, D.; Vassiliou, S. Synthesis of Thiazolidin-4-Ones Derivatives , Evaluation of Conformation in Solution , Theoretical Isomerization Reaction Paths and Discovery of Potential Biological Targets. 2024, 1–20.

(27)    Apostolopoulos, V.; Georgiou, N.; Tzeli, D.; Mavromoustakos, T.; Moore, G. J.; Kelaidonis, K.; Matsoukas, M.-T.; Tsiodras, S.; Swiderski, J.; Kate Gadanec, L.; Zulli, A.; Chasapis, C. T.; Matsoukas, J. M. Density Functional Theory and Enzyme Studies Support Interactions between Angiotensin Receptor Blockers and Angiotensin Converting Enzyme-2: Relevance to Coronavirus 2019. Bioorg. Chem. 2024, 150, 107602. https://doi.org/10.1016/j.bioorg.2024.107602.

(28)    Ntavaroukas, P.; Michail, K.; Tsiakalidou, R.; Stampouloglou, E.; Tsiggene, K.; Komiotis, D.; Georgiou, N.; Mavromoustakos, T.; Manta, S.; Aje, D.; Michael, P.; Campbell, B. J.; Papoutsopoulou, S. A Novel Quinoline Inhibitor of the Canonical NF-ΚB Transcription Factor Pathway. Biology (Basel). 2024, 13 (11). https://doi.org/10.3390/biology13110910.

Conferences:

  • (Awarded travel grant for Poster Presentation) Chalcones derivatives as potential anti-inflammatory agents, Nikitas Georgiou et al. in ISIDORe Scientific Conference in Paris, 2025
  • (Oral Presentation) QM/MM studies on the relay system of ANG II, Nikitas Georgiou et al., 1st International Symposium on Advanced Drug Discovery, University of Ioannina, 2024
  • (Awarded travel grant for Poster Presentation) Chalcones and azathioprine as potential lead molecules against inflammation and Leishmania and Zika Virus diseases, Nikitas Georgiou, et al., Funded Poster presentation in ISIDORe Scientific Conference on nHow Hotel Brussels Bloom in Brussels, 2024.
  • (Poster Presentation) DFT calculations of the interactions of sartans with ACE2 active center. Study of proton transfer in ACE2, Nikitas Georgiou, Demeter Tzeli,Thomas Mavromoustakos, ISQBP, Biomedical Research Foundation-Academy of Athens, 2024
  • (Oral Presentation) Structure assignment, conformational analysis and discovery of potential targets of the thiosemicarbazone and thiocarbohydrazone derivatives, N. Georgiou , A. Katsogiannou , D. Tzeli , S. Vassiliou , Uroš Javornik , Janez Plavec

,T. Mavromoustakos, Athens Conference on Advances in Chemistry (ACAC 2022) Department of Chemistry, National and Kapodistrian University of Athens, 2022

  • (Poster Presentation) “In silico prevention of propargylamine substrate toxicity in their use as monoamino-oxidase inhibitors, Panagiou Mavroeidi, Nikitas Georgiou, Georgios Vougioukalakis and Thomas Mavromoustakos, Athens Conference on Advances in Chemistry (ACAC 2022) Department of Chemistry, National and Kapodistrian University of Athens, 2022
  • (Oral Presentation) Conformational properties of new thiosemicarbazone and thiocarbohydrazone derivatives and their possible targets, N. Georgiou, A. Katsogiannou, D. Tzeli, S. Vassiliou, T. Mavromoustakos, 1st Symposium of Postgraduate Students , 2022, Department of Chemistry, National and Kapodistrian University of Athens.
  • (Oral Presentation) In silico methods for the prevention of propargylamine substrate toxicity for use as monoamino-oxidase inhibitors, P. Mavroeidi, N. Georgiou, G. Vougioukalakis, T. Mavromoustakos, 1st Symposium of Postgraduate Students , 2022, Department of Chemistry, National and Kapodistrian University of Athens.
  • (Poster Presentation)“Conformational Properties of NGI 26”, N. Gouleni , T. Gionis

, G. Skoufas , E. Chontzopoulou, N. Georgiou , T. Mavromoustakos, S. Vassiliou, Athens Conference on Advances in Chemistry (ACAC 2020) Department of Chemistry, National and Kapodistrian University of Athens, 2021

  • (Poster Presentation) “Searching for novel synthetic MAO inhibitors, Panagiou Mavroeidi , Aggeliki Syriopoulou , Nikitas Georgiou , Nikolaos Tzouras , Stavros Neofotistos , Georgios Vougioukalakis , Serdar Durdagi and Thomas Mavromoustakos, Athens Conference on Advances in Chemistry (ACAC 2020) Department of Chemistry, National and Kapodistrian University of Athens, 2021
  • (Poster Presentation) “Searching for targets against neurodegenerative diseases”, Panagiou Mavroeidi, Aggeliki Syriopoulou, Nikitas Georgiou, Nikolaos Tzouras, Stavros Neofotistos, Georgios Vougioukalakis, Serdar Durdagi and Thomas Mavromoustakos, 18th Hellenic Symposium on Medicinal Chemistry, held online, 2021 (9th place of 154 posters)

Awards:

Scholarship of the National and Kapodistrian University’s Scholarship for the spring semester 2021-2022 to carry out teaching project (2nd in the ranking order out of 5)

RNDr. Marián Fabián, CSc.

RNDr. Marián Fabián, CSc.

Mgr. Ivana Fedurco Kočišová

Mgr. Ivana Fedurco Kočišová

doc. RNDr. Denis Horváth, PhD.

doc. RNDr. Denis Horváth, PhD.

RNDr. Veronika Huntošová, PhD.

RNDr. Veronika Huntošová, PhD.

RNDr. Michal Nemergut, PhD.

RNDr. Michal Nemergut, PhD.

RNDr. Mária Repovská, PhD.

RNDr. Mária Repovská, PhD.

prof. RNDr. Erik Sedlák, DrSc.

prof. RNDr. Erik Sedlák, DrSc.

RNDr. Róbert Seliga, PhD.

RNDr. Róbert Seliga, PhD.

RNDr. Ivana Timková, PhD.

RNDr. Ivana Timková, PhD.

Mgr. Mária Tomková, PhD.

Mgr. Mária Tomková, PhD.

Stanislava Trepáčová

Stanislava Trepáčová

Dr. Nikitas Georgiou, PhD.

Dr. Nikitas Georgiou, PhD.

MD Andersen Herman

MD Andersen Herman