Person: TOPÇU, GÜLAÇTI
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Publication Metadata only Preclinical studies evaluating the therapeutic efficacy of novel natural compound olean-12-en-28-ol, 3β pentacosanoate for multiple sclerosis(2022-09-26) Şenol H.; Özgün-Acar Ö.; Dağ A.; Eken A.; Acar B.; Aktaş Pepe N.; Güner H.; Aykut Z. G.; Çevik Kaplan S.; Ayaz Güner Ş.; et al.; ŞENOL, HALIL; DAĞ, AYDAN; TOPÇU, GÜLAÇTIPublication Metadata only Synthesis and Comprehensive in Vivo Activity Profiling of Olean-12-en-28-ol, 3β-Pentacosanoate in Experimental Autoimmune Encephalomyelitis: A Natural Remyelinating and Anti-Inflammatory Agent(2023-01-01) Şenol H.; Özgün Acar Ö.; Dağ A.; Eken A.; Güner H.; Aykut Z. G.; Topçu G.; Şen A.; ŞENOL, HALIL; DAĞ, AYDAN; TOPÇU, GÜLAÇTIPublication Open Access Synthesis and anticancer activity of novel derivatives of α,β‐unsaturated ketones based on oleanolic acid: in vitro and in silico studies against prostate cancer cells(2023-08-01) Şenol H.; Ghaffari-Moghaddam M.; Bulut Ş.; Akbaş F.; Köse A.; Topçu G.; ŞENOL, HALIL; AKBAŞ, FAHRİ; TOPÇU, GÜLAÇTIHerein, new derivatives of α,β-unsaturated ketones based on oleanolic acid (4 a-i) were designed, synthesized, characterized, and tested against human prostate cancer (PC3). According to the in vitro cytotoxic study, title compounds (4 a-i) showed significantly lower toxicity toward healthy cells (HUVEC) in comparison with the reference drug doxorubicin. The compounds with the lowest IC50 values on PC3 cell lines were 4 b (7.785 μM), 4 c (8.869 μM), and 4 e (8.765 μM). The results of the ADME calculations showed that the drug-likeness parameters were within the defined ranges according to Lipinski's and Jorgensen's rules. For the most potent compounds 4 b, 4 c, and 4 e, a molecular docking analysis using the induced fit docking (IFD) protocol was performed against three protein targets (PARP, PI3K, and mTOR). Based on the IFD scores, compound 4 b had the highest calculated affinity for PARP1, while compound 4 c had higher affinities for mTOR and PI3K. The MM-GBSA calculations showed that the most potent compounds had high binding affinities and formed stable complexes with the protein targets. Finally, a 50 ns molecular dynamics simulation was performed to study the behavior of protein target complexes under in silico physiological conditions.Publication Metadata only Cytotoxic meroterpenoids from brown alga Stypopodium schimperi (Kützing) Verlaque & Boudouresque with comprehensive molecular docking & dynamics and ADME studies(2024-01-01) Demirkıran Ö.; Erol E.; Şenol H.; Kesdi İ. M.; Alim Toraman G. Ö.; Okudan E. Ş.; Topçu G.; EROL, EBRU; ŞENOL, HALIL; ALİM TORAMAN, GÜLBAHAR ÖZGE; TOPÇU, GÜLAÇTI