Yayınlar

1. Abuelrub A, Erol I, Nalbant Bingol N, Ozemri Sag S, Temel SG, Durdağı S. Computational Analysis of CC2D1A Missense Mutations: Insight into Protein Structure and Interaction Dynamics. ACS Chem Neurosci. 2025 Jan 10. doi: 10.1021/acschemneuro.4c00570.

2. Dogan B, Durdağı S. Investigating the Effect of GLU283 Protonation State on the Conformational Heterogeneity of CCR5 by Molecular Dynamics Simulations. J Chem Inf Model. 2024 Nov 11;64(21):8283-8298

3. Tunc H, Yilmaz S, Darendeli Kiraz BN, Sari M, Kotil SE, Sensoy O, Durdagi S. Improving Predictive Efficacy for Drug Resistance in Novel HIV-1 Protease Inhibitors through Transfer Learning Mechanisms. J Chem Inf Model. 2024 Oct 28;64(20):7844-7863.

4. Yilmaz YB, Güngör T, Dönmez S, Atalay HN, Siyah P, Durdağı S, Ay M, Boyunegmez Tumer T. Synthesis, in silico and bio-evaluation studies of new isothiocyanate derivatives with respect to COX inhibition and H2S release profiles. RSC Med Chem. 2024 Oct 24. doi: 10.1039/d4md00495g.

5. Koksalar Alkan F, Caglayan AB, Alkan HK, Benson E, Gunduz YE, Sensoy O, Durdagi S, Zarbaliyev E, Dyson G, Assad H, Shull A, Chadli A, Shi H, Ozturk G, Korkaya H. Dual activity of Minnelide chemosensitize basal/triple negative breast cancer stem cells and reprograms immunosuppressive tumor microenvironment. Sci Rep. 2024 Sep 28;14(1):22487. doi: 10.1038/s41598-024-72989-6.

6. Kahveci K, Düzgün MB, Atis AE, Yılmaz A, Shahraki A, Coskun B, Durdagi S, Birgul Iyison N. Discovering allatostatin type-C receptor specific agonists. Nature Commun. 2024 May 10;15(1):3965. doi: 10.1038/s41467-024-48156-w.

7. Aydın S, Ergün Y, Ghazy S, Çelebi A, Kilic T, Avşar T, Durdağı S. Synthesis of Tryptamine-Thiazolidin-4-one Derivatives and the Combined In Silico and In Vitro Evaluation of their Biological Activity and Cytotoxicity. ACS Omega. 2024 Oct 23;9(44):44262-44281.

8. Tapera, M., Dogan, E., Sahin, K., Gözkamene, G.A., Kekeçmuhammed, H., Sandal, S., Coker Gurkan, A., Bora, R.E., Anber, A., Durdagi, S., Zorlu, Y., Sarıpınar, E. Imidazole-based hydrazones as potent anti-colon cancer agents: Design, synthesis, biological evaluation and computational studies. Journal of Molecular Structures. 2024

9. Teiar R, Sane F, Erol I, Nekoua MP, Lecouturier D, Boukherroub R, Durdağı S, Hober D, Drider D. Enterocin DD14 can inhibit the infection of eukaryotic cells with enveloped viruses. Arch Microbiol. 2024 May 20;206(6):269. doi: 10.1007/s00203-024-04002-7.

10. Mavroeidi P, Zorba LP, Tzouras NV, Neofotistos SP, Georgiou N, Sahin K, Şentürk M, Durdagi S, Vougioukalakis GC, Mavromoustakos T. Are Terminal Alkynes Necessary for MAO-A/MAO-B Inhibition? A New Scaffold Is Revealed. Molecules 2024 May 24;29(11):2486. doi: 10.3390/molecules29112486.

11. Sayyah E, Oktay L, Tunc H, Durdagi S. Developing Dynamic Structure-Based Pharmacophore and ML-Trained QSAR Models for the Discovery of Novel Resistance-Free RET Tyrosine Kinase Inhibitors Through Extensive MD Trajectories and NRI Analysis. ChemMedChem. 2024 Jun 17;19(12):e202300644. doi: 10.1002/cmdc.202300644.

12. Ikram S, Sayyah E, Durdağı S. Identifying Potential SOS1 Inhibitors via Virtual Screening of Multiple Small Molecule Libraries against KRAS-SOS1 Interaction. ChemBioChem. 2024 Jun 17;25(12):e202400008. doi: 10.1002/cbic.202400008.

13. Ghazy S, Oktay L, Durdaği S. A novel algorithm for the virtual screening of extensive small molecule libraries against ERCC1/XPF protein-protein interaction for the identification of resistance-bypassing potential anticancer molecules. Turk J Biol. 2024 Apr 3;48(2):91-111. doi: 10.55730/1300-0152.2686.

14. Çakmak R, Başaran E, Sahin K, Şentürk M, Durdağı S. Synthesis of Novel Hydrazide-Hydrazone Compounds and In Vitro and In Silico Investigation of Their Biological Activities against AChE, BChE, and hCA I and II. ACS Omega 2024 Apr 26;9(18):20030-20041. doi: 10.1021/acsomega.3c10182.

15. Özil M, Balaydın HT, Dogan B, Şentürk M, Durdagi S. Efficient, rapid, and high-yield synthesis of aryl Schiff base derivatives and their in vitro and in silico inhibition studies of hCA I, hCA II, AChE, and BuChE. Arch Pharm (Weinheim). 2024 Jul;357(7):e2300266. doi: 10.1002/ardp.202300266.

16. Sambur E, Oktay L, Durdağı S. Covalent docking-driven virtual screening of extensive small-molecule libraries against Bruton tyrosine kinase for the identification of highly selective and potent novel therapeutic candidates. J Mol Graph Model. 2024 Jul;130:108762. doi: 10.1016/j.jmgm.2024.108762.

17. Tunc H, Dogan B, Darendeli Kiraz BN, Sari M, Durdagi S, Kotil S. Prediction of HIV-1 protease resistance using genotypic, phenotypic, and molecular information with artificial neural networks. PeerJ. 2023 Mar 21;11:e14987. doi: 10.7717/peerj.14987.