Assoc. Prof. Dr. Serdar DURDAGI

We are applying computational chemistry methods to biological systems in our research group. Our inter-disciplinary research focuses on protein engineering and analyses of their structural/functional dynamics, ligand- and structure-based drug design, high throughput virtual screening, investigation of molecular mechanisms of protein/drug, protein/protein and protein/DNA interactions and optimizations protocols for rational drug design. For this aim, together with applications of molecular modeling tools such as homology modeling, 3D-QSAR (quantitative structure-activity relationships), molecular docking, molecular dynamics (MD) simulations combined with post-processing analyses (using MM/PB(GB)SA as well as direct evaluation of Free Energy Perturbation (FEP) with constraining schemes, and Potential of Mean Force (PMF) computations), cheminformatics, Monte-Carlo simulations, loop modeling, de novo drug design, ADME/Tox; we are also developing programing codes for several biological problems.

Principal Investigator (PI) of the group, Prof. Durdagi published one book on computer-aided drug design in 2010 (“Recent Advances in Computational Drug Design Studies: The Application of In Silico Methodologies for Bioactive Cannabinoid and Fullerene Derivatives” by VDM-Verlag). Prof. Durdagi is the author/co-author of seven book chapters (such as “Medicinal Chemistry Research Progress”, published by Nova Science and "Highlights in Computational Chemistry II” published by Springer) and around 100 research articles in top peer-reviewed medicinal chemistry, computational chemistry, quantum chemistry, bioinformatics, structural biology, bioorganic chemistry, biophysics and computational biology journals (i.e. Journal of Biological Chemistry; European Journal of Medicinal Chemistry; Journal of Chemical Information and Modeling (ACS); Journal of Pharmacology and Experimental Therapeutics (JPET); BBA-Biochimica et Biophysica Acta-Biomembranes; Current Medicinal Chemistry; Journal of Computer Aided Molecular Design; Journal of Molecular Modeling; Int. Journal of Quantum Chemistry;  Proteins: Structure,Function and Bioinformatics; Journal of Molecular Graphics and Modelling; Bioorganic and Medicinal Chemistry;  Chemical Physics Letters;  Channels, Cell Biochemistry & Function, Journal of Enzyme Inhibition and Medicinal Chemistry, etc.) with h-index of 23.
(The total citations of Dr. Durdagi's research articles are more than 1500)

Prof. Durdagi’s research group currently works at the School of Medicine of the Bahcesehir University. The group of Dr Durdagi works on several projects for better understanding the drug-receptor and protein-protein, protein-DNA interactions of different systems using several computational modeling approaches and designing novel therapeutic compounds.

Prof. Durdagi received many prestigious national and international awards including:
  • The Scientific and Technological Research Council of Turkey-TUBITAK's Incentive Award in Healthy Sciences (2016)
  • Contribution to Science Award (2016)
  • Science Academy's Young Scientist Award -BAGEP (2014)

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