Person: AKDEMİR, ATİLLA
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Publication Metadata only Target Recognition Molecules and Molecular Modeling Studies(2017-01-01) Bütün, Burcu; Akdemir, Atilla; BÜTÜN, BURCU; AKDEMİR, ATİLLAPublication Metadata only New Pyridinium Salt Derivatives of 2-(Hydrazinocarbonyl)-3-phenyl-1H-indole-5- sulfonamide as Selective Inhibitors of Tumour-Related Human Carbonic Anhydrase Isoforms IX and XII(2022-08-01T00:00:00Z) Güzel Akdemir, Özlen; Demir Yazıcı, Kübra; Akdemir, Atilla; AKDEMİR, ATİLLAPublication Open Access Novel Indole-Based Hydrazones as Potent Inhibitors of the α-class Carbonic Anhydrase from Pathogenic Bacterium <i>Vibrio cholerae</i>.(2020-04-29T00:00:00Z) Demir-Yazıcı, K; Güzel-Akdemir, Ö; Angeli, A; Supuran, Ct; Akdemir, Atilla; AKDEMİR, ATİLLADue to the increasing resistance of currently used antimicrobial drugs, there is an urgent problem for the treatment of cholera disease, selective inhibition of the α-class carbonic anhydrases (CA, EC 4.2.1.1) from the pathogenic bacterium Vibrio cholerae (VcCA) presents an alternative therapeutic target. In this study, a series of hydrazone derivatives, carrying the 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide scaffold, have been evaluated as inhibitors of the VcCA with molecular modeling studies. The results suggest that these compounds may bind to the active site of VcCA. To verify this, VcCA enzyme inhibition studies were performed and as predicted most of the tested compounds displayed potent inhibitory activities against VcCA with three compounds showing KI values lower than 30 nM. In addition, all these compounds showed selectivity for VcCA and the off-targets hCA I and II.Publication Metadata only Synthesis, anti-TB activities, and molecular docking studies of 4-(1,2,3-triazoyl)arylmethanone derivatives.(2022-02-21T00:00:00Z) Turkmen, Yunus; Yagiz Erdemir, Güler; Yuksel Mayda, Pelin; Akdemir, Atilla; Gunaydin Akyildiz, AYŞENUR; Altundas, Aliye; AKDEMİR, ATİLLA; GÜNAYDIN AKYILDIZ, AYŞENURPublication Open Access Anti-SARS-CoV-2 and cytotoxic activity of two marine alkaloids from green alga Caulerpa cylindracea Sonder in the Dardanelles(2022-10-01T00:00:00Z) Erol, Ebru; Alim Toraman, Gulbahar Ozge; Orhan, Muge Didem; Avsar, Timucin; Akdemir, Atilla; Okudan, Emine Sukran; Topcu, Gulacti; EROL, EBRU; AKDEMİR, ATİLLA; ALİM TORAMAN, GÜLBAHAR ÖZGE; TOPÇU, GÜLAÇTICaulerpa cylindracea Sonder is a green alga belonging to the CauIerpaceae family. This is the first chemical investigation of C. cylindracea in the Dardanelles which resulted in the isolation of four compounds, caulerpin (1), monomethyl caulerpinate (2), beta-sitosterol (3), and palmitic acid (4). Their structures were elucidated by spectroscopic analyses including 1D- and 2D NMR and mass. The isolated compounds 1 and 2 were tested against the SARS-CoV-2 viral targets spike protein and main protease (3CL) enzyme, and both compounds significantly inhibit the interaction of spike protein and ACE2, while the main protease activity was not significantly reduced. Docking studies suggested that compounds 1 and 2 may bind to the ACE2 binding pocket on spike, and compound 2 may aka bind to an allosteric site on spike. As such, these compounds may inhibit the spike-ACE2 complex formation competitively and/or allosterically and have the potential to be used against SARS-CoV-2 virus infection. In addition, compounds 1 and 2 showed at [east two-fold higher cytotoxicity against breast cancer cell Lines MCF7 and MDA-MB-231 compared to the CCD fibroblast control cell LinePublication Open Access Molecular modelling studies to suggest novel scaffolds against SARS-CoV-2 target enzymes(2021-12-01T00:00:00Z) Akdemir, Atilla; AKDEMİR, ATİLLAIn this study, molecular modelling study of previously synthesized compounds against SARS-CoV-2 target enzyme was performed. A subset of 156 compounds from an in-house database has been subjected to molecular modelling studies against the SARS-CoV-2 ADP-ribose phosphatase (ADRP, NSP3), Papain-like protease (PLpro), and uridine specific endoribonuclease (NSP15) enzymes. We have identified one compound that is expected to inhibit the SARS-CoV-2 ADRP enzyme and one compound that is expected to inhibit the NSP15 enzyme.Publication Metadata only In vitro evaluation of estrogenic, antiestrogenic and antitumor effects of amentoflavone.(2021-03-08T00:00:00Z) Aliyev, A T; Ozcan-Sezer, S; Akdemir, Atilla; Gurer-Orhan, H; AKDEMİR, ATİLLA