Person: ŞENOL, HALIL
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Publication 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 Metadata only Synthesis, Characterization and Molecular Docking Studies of Highly Selective New Hydrazone Derivatives of Anthranilic Acid and Their Ring Closure Analogue Quinazolin-4(3H)-ones Against Lung Cancer Cells A549(2023-02-01) Tokalı F. S.; Şenol H.; Bulut Ş.; Hacıosmanoğlu Aldoğan E.; ŞENOL, HALILPublication Metadata only Synthesis, characterization, molecular docking and in vitro anti-cancer activity studies of new and highly selective 1,2,3-triazole substituted 4-hydroxybenzohyrdazide derivatives(2023-02-01) Şenol H.; Ağgül A. G.; Atasoy S.; Güzeldemirci N.; ŞENOL, HALIL; ATASOY, SEZENPublication Metadata only Bazı Yeni 1,2,3-Triazol-arilidenhidrazid Hibrit Bileşiklerinin Sentezi ve Anti-mikrobiyal Etkinliklerinin Belirlenmesi(2023-03-01) Şenol H.; Dinç H. Ö.; Tak B. N.; ŞENOL, HALILPublication Open Access Synthesis and Evaluation of Quinazolin-4(3H)-one Derivatives as Multitarget Metabolic Enzyme Inhibitors: A Biochemistry-Oriented Drug Design(2023-07-01) Tokalı F. S.; Taslimi P.; Sadeghi M.; Şenol H.; ŞENOL, HALILIn this study, imines bearing quinazolin-4(3H)-one were synthesized and their inhibitory properties were investigated against some metabolic enzymes including Acetylcholinesterase (AChE), Butyrylcholinesterase (BChE), & alpha;-Glycosidase (& alpha;-Gly), and human Carbonic Anhydrase I-II (hCA I-II). All compounds had inhibitory strength with K-i values in the range of 38.55 & PLUSMN;4.08-159.05 & PLUSMN;10.68 nM and 41.04 & PLUSMN;6.73-177.12 & PLUSMN;8.06 nM against hCA I and hCA-II, respectively in comparison to the standard acetazolamide (AZA) K-i=125.15 & PLUSMN;0.78 nM (for hCA-I) and K-i=148.75 & PLUSMN;0.92 nM (for hCA-II). The compounds showed potent inhibitory activity against & alpha;-Gly enzyme with IC50 value 0.34-2.28 nM (standard inhibitor acarbose (ACR): 3.18 nM). Also, these analogs had potent inhibitory strength with K-i values in the range of 4.20 & PLUSMN;0.15-26.10 & PLUSMN;2.36 nM against AChE and 1.22 & PLUSMN;0.05-16.09 & PLUSMN;0.88 nM against BChE in comparison to the standard tacrine (TAC) K-i=37.62 & PLUSMN;6.86 nM (for AChE) and K-i=26.75 & PLUSMN;5.79 nM (for BChE). Additionally, the molecular docking and molecular dynamics simulation study was carried out for the determination of ligand-enzyme interactions. The docking scores of the most active compound were calculated as -7.31, -7.59, -6.66, -6.93 and -7.11 kcal/mol for AChE, BChE, hCA I, hCA II, and & alpha;-Gly, respectively.Publication Metadata only Synthesis of nitrogen-containing oleanolic acid derivatives as carbonic anhydrase and acetylcholinesterase inhibitors(2023-02-01) Şenol H.; Çelik Turgut G.; Şen A.; Sağlamtaş R.; Tuncay S.; Gülçin İ.; Topçu G.; ŞENOL, HALILPublication Metadata only Novel Thiosemicarbazone and Thiazolidin‐4‐one Derivatives Containing Vanillin Core: Synthesis, Characterization and Anticancer Activity Studies(2023-01-01) Tokalı F. S.; Şenol H.; Dağ A.; Gençoğlu Katmerlikaya T.; Şendil K.; ŞENOL, HALIL; DAĞ, AYDANPublication 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 Novel quinazoline–chromene hybrids as anticancer agents: Synthesis, biological activity, molecular docking, dynamics and ADME studies(2023-09-01) Tokalı F. S.; Şenol H.; Yetke H. İ.; Hacıosmanoğlu E.; ŞENOL, HALIL; YETKE, HANDE İPEK; HACIOSMANOĞLU, EBRUPublication Metadata only Novel Chalcone Derivatives of Ursolic Acid as Acetylcholinesterase Inhibitors: Synthesis, Characterization, Biological Activity, ADME prediction, Molecular Docking and Molecular Dynamics Studies(2023-10-01) Şenol H.; Ghaffari-Moghaddam M.; Alim Toraman G. Ö.; Güller U.; ŞENOL, HALIL; ALİM TORAMAN, GÜLBAHAR ÖZGE