Our activities lie at the interface of computational structure and systems biology. Our lab is a multi-disciplinary group comprising researchers with expertise in various fields, including biochemistry, biotechnology, molecular biology, data analysis, and artificial intelligence: machine learning (ML) and deep learning (DL).

Research activities

• Structural bioinformatics: modeling and molecular dynamics of organic compounds and biomolecules (proteins and protein-ligand/drug complexes)
• Analysis of Organic spectroscopy and NMR data
• Computational Systems Biology
• Biological Big Data Analysis
• Inter- and Intra- Species Protein-Protein Interaction (PPI) networks
• Network-based drug repurposing and side effect indications
• Modeling of human disease networks
• Development of ML and DL algorithms for biological network analysis

Goal

• Computational design of Next-Generation Antiviral Therapeutics.
• Development of novel personalized medicine strategies based on Human-microbiome interplay modeling.
• Acceleration the implementation of innovative non-animal approaches for drug development and repurposing via AI algorithm.
• Prediction of side effects for drugs in clinical trials and postmarketing via AI algorithm implementation.
• Development of novel computational methodologies for functional plasticity prediction of protein drug targets.

 

 

 

 

Group Structure and Personnel

Dr. Christos T. Chasapis, Research Assistant Professor
Head of the Laboratory of Bioinformatics focusing on the development of new methodologies and tools.

 

Ph.D. candidates

• MSc Despoina P. Kiouri, PhD in Bioinformatics, NHRF/ICB and Department of Chemistry, NKUA
• MSc Georgios Batsis, NHRF/ICB

MSc students

• Ms. Aikaterini Oikonomidi, MSc in Medicinal Chemistry and Chemical Biology, NHRF/ICB and University of Patras

Undergraduate students

• Ms. Athanasia K. Georgiopoulou, Department of Biosystems & Agricultural Engineering of the University of Patras

Laboratory Alumni

• Charalampos Ntallis, MSc in Medicinal Chemistry and Chemical Biology, NHRF/ICB and University of Patras (2022-2023)

 

 

 

Collaborations

National academic

• Dr. Maria Klapa, Research Director, FORTH/ICE-HT, Patras, Greece
• Prof. Ioannis Matsoukas, NewDrug PC, Patras Science Park, 265 04 Platani, Greece
• Prof. Thomas Mavromoustakos, Department of Chemistry, National and Kapodistrian University of Athens, Greece
• Prof. Sotirios Tsiodras, National and Kapodistrian University of Athens Medical School, Greece
• Associate Prof. Irene Margiolaki, Department of Biology, University of Patras, Greece
• Prof. Maria Stefanidou, National and Kapodistrian University of Athens Medical School
• Assistant Prof. Alexios Vlamis, Department of Chemistry, University of Patras, Greece
• Prof. Spyros Perlepes, Department of Chemistry, University of Patras, Greece

 

International academic

• Dr. Alessandro Giuliani, Environment and Health Department, Istituto Superiore di Sanità, 00161 Rome, Italy
• Dr. Harry Ridgway, AquaMem Scientific Consultants, Rodeo, NM 88056, USA
• Prof. Vasso Apostolopoulos, Institute for Health and Sport, Victoria University, Melbourne, VIC 3030, Australia
• Associate Prof., Massimiliano Peana, Department of Chemical, Physics, Mathematics and Natural Sciences, University of Sassari, Italy
• Dr. Geir Bjørklund, President of the Council for Nutritional and Environmental, Medicine (CONEM), Mo i Rana, Norway
• Associate Prof. Antonio Rosato, NMR center, CERM, University of Florence
• Associate Prof. Ioannis Gelis, Department of Chemistry, University of South Florida, Tampa USA

 

 

Publications

Total publications (last update 03/2024) : 71
h-index (last update 03/2024): 20
Citations (last update 03/2024): 2189
Scopus: https://www.scopus.com/authid/detail.uri?authorId=12763792800
Google Scholar: https://scholar.google.ca/citations?user=YsUZTwIAAAAJ&hl=en

 

Representative publications

• Ntallis C., Tzoupis H., Tselios T., Chasapis C. T., Vlamis A. G, Distinct or Overlapping Areas of Mitochondrial Thioredoxin 2 May Be Used for Its Covalent and Strong Non-Covalent Interactions with Protein Ligands, Antioxidants, 2024, 13(1), 15
  doi: 10.3390/antiox13010015
• Kiouri DP, Ntallis C, Kelaidonis K, Peana M, Tsiodras S, Mavromoustakos T, Giuliani A, Ridgway H, Moore GJ, Matsoukas JM, Chasapis CT*. Network-Based Prediction of Side Effects of Repurposed Antihypertensive Sartans against COVID-19 via Proteome and Drug-Target Interactomes. Proteomes. 2023 Jun 8;11(2):21.
  doi: 10.3390/proteomes11020021
• Kiouri, D. P., Tsoupra, E., Peana, M., Perlepes, S. P., Stefanidou, M. E., & Chasapis, C. T*. (2023). Multifunctional role of zinc in human health: an update. EXCLI Journal, 2023, 22, 809–827.
  doi: 10.17179/excli2023-6335
• Ridgway H*, Orbell JD, Matsoukas MT, Kelaidonis K, Moore GJ, Tsiodras S, Gorgoulis VG, Chasapis CT*, Apostolopoulos V, Matsoukas JM*. W254 in furin functions as a molecular gate promoting anti-viral drug binding: Elucidation of putative drug tunneling and docking by non-equilibrium molecular dynamics. Comput Struct Biotechnol J. 2023 Sep 9;21:4589-4612.
  doi: 10.1016/j.csbj.2023.09.003
• Kelaidonis K, Ligielli I, Letsios S, Vidali VP, Mavromoustakos T, Vassilaki N, Moore GJ, Hoffmann W, Węgrzyn K, Ridgway H, Chasapis CT*, Matsoukas JM*. Computational and Enzymatic Studies of Sartans in SARS-CoV-2 Spike RBD-ACE2 Binding: The Role of Tetrazole and Perspectives as Antihypertensive and COVID-19 Therapeutics. Int J Mol Sci. 2023 May 8;24(9):8454.
  doi: 10.3390/ijms24098454
• Chasapis CT*, Perlepes SP, Bjørklund G, Peana M., Structural modeling of protein ensembles between E3 RING ligases and SARS-CoV-2: The role of zinc binding domains, J. Trace Elem Med Biol, 2023 Jan:75:127089. 
  doi: 10.1016/j.jtemb.2022.127089
• Mpekoulis, G.; Kalliampakou, K.I.; Milona, R.S.; Lagou, D.; Ioannidis, A.; Jahaj, E.; Chasapis, C.T. ;Kefallinos, D.; Karakasiliotis, I.; Kotanidou, A.; et al. Significance of Catecholamine Biosynthetic/Metabolic Pathway in SARS-CoV-2 Infection and COVID-19 Severity. Cells2023, 12, 12.
  https://doi.org/10.3390/cells12010012
• Triandafillidis, D. P., Karavassili, F., Spiliopoulou, M., Valmas, A., Athanasiadou, M., Nikolaras, G., Fili, S., Kontou, P., Bowler, M. W., Chasapis, C. T., Von Dreele, R. B., Fitch, A. N. & Margiolaki, I. The T2 structure of polycrystalline cubic human insulin, Acta Cryst. 2023, D79, 374-386.
• Podzimek S, Himmlova L, Janatova T, Bjørklund G, Vrbova R, Janovska M, Peana M, Chasapis CT, Vinsu A, Prochazkova J, Duskova J., Metal hypersensitivity and pro-inflammatory cytokine production in patients with failed orthopedic implants: A case-control study, Clin Immunol. 2022 245:109152.
  doi: 10.1016/j.clim.2022.109152
• Bjørklund G, Zou L, Peana M, Chasapis CT, Hangan T, Lu J, Maes M., The Role of the Thioredoxin System in Brain Diseases., Antioxidants (Basel). 2022, 11(11):2161.
  doi: 10.3390/antiox11112161
• Oulas A, Zachariou M, Chasapis CT, Tomazou M, Ijaz UZ, Schmartz GP, Spyrou GM, Vlamis-Gardikas A., Putative Antimicrobial Peptides Within Bacterial Proteomes Affect Bacterial Predominance: A Network Analysis Perspective, Front Microbiol 2021 12:752674. 
  doi: 10.3389/fmicb.2021.752674
• Bjørklund G, Zou L, Wang J, Chasapis CT, Peana M., Thioredoxin reductase as a pharmacological target., Pharmacol Res. 2021, 174:105854.
  doi: 10.1016/j.phrs.2021.105854
• Chasapis CT, Makridakis M, Damdimopoulos AE, Zoidakis J, Lygirou V, Mavroidis M, Vlahou A, Miranda-Vizuete A, Spyrou G, Vlamis-Gardikas A. Implications of the mitochondrial interactome of mammalian thioredoxin 2 for normal cellular function and disease, Free Radic Biol Med 2019, 137: 59-73. 
  doi: 10.1016/j.freeradbiomed.2019.04.018