Person: DİNGİŞ BİRGÜL, SERAP İPEK
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Publication Metadata only Molecular modeling studies on dithiocarbamates and dithiocarbonates containing 6-nitrosaccharin scaffold as antitubercular agents(2022-03-12T00:00:00Z) Dingiş Birgül, Serap İpek; Trawally, Muhammed; Demir Yazıcı, Kübra; Akdemir, Atilla; Güzel Akdemir, Özlen; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLAPublication Unknown Mandelic acid-based spirothiazolidinones targeting M. tuberculosis: Synthesis, in vitro and in silico investigations(2022-04-01T00:00:00Z) Trawally, Muhammed; DEMİR YAZICI, Kübra; DİNGİŞ BİRGÜL, SERAP İPEK; Kaya, Kerem; AKDEMİR, ATİLLA; GÜZEL AKDEMİR, Özlen; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA© 2022A series of new spirothiazolidinone derivatives with a mandelic acid moiety were synthesized and subsequently tested in growth inhibition assays against Mycobacterium tuberculosis strain H37Rv. Compound 16 displayed the highest inhibition value of 98% at lower than 6.25 µg/mL concentration. A single crystal X-ray analysis was conducted on this compound to confirm the structure and determine its absolute configuration. Afterwards, reverse docking and molecular dynamics simulations of this specific stereoisomer were performed against a selection of 10 putative targets of M. tuberculosis to suggest possible mechanisms of action. Our results suggest HadAB, Pks13, DprE1, FadD32 and InhA as possible target proteins for the observed antimycobacterial activity of compound 16.Publication Unknown Evaluation of new 2-hydroxy-N-(4-oxo-2-substituted phenyl-1,3- thiazolidin-3-yl)-2-phenylacetamide derivatives as potential antimycobacterial agents(2020-04-01T00:00:00Z) Guzel-Akdemir, Ozlen; DEMİR YAZICI, Kübra; Trawally, Muhammed; AKDEMİR, ATİLLA; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLAA small collection of 2-hydroxy-N-(5-methyl/nonsubstituted 4-oxo-2-substituted phenyl-1,3-thiazolidin-3-yl)-2-phenylacetamides (3-16) was synthesized from the cyclocondensation of 2-hydroxy-2-phenyl-N--[(substitutedphenyl)methylene]acetohydrazides (2) and mercaptoethanoic acid or 2-mercaptopropanoic acid, characterized with spectral and elemental analysis. In order to explore their antimycobacterial potential, newly synthesized fourteen compounds were screened for their inhibitory activity against Mycobacterium tuberculosis strain H37Rv at 6.25 mu g/mL with in-vitro primary tests. Compound 7 was found to provide the highest inhibition (98%) M. tuberculosis strain H37Rv, while most of the new derivatives showed different inhibition ratios. For the search of the putative targets which are considered as related to the antimycobacterial activity of these molecules, docking studies were performed. With molecular dynamic simulations, further possible interactions between ligands and the active site of the selected enzymes were investigated. Eventually, molecular modelling studies indicated that at least part of the mechanism of action of these compounds may be mediated by inhibition of MtInhA.Publication Unknown MANDELIC ACID-BASED NOVEL SPIROTHIAZOLIDINONES: SYNTHESIS, ANTIMYCOBACTERIAL ACTIVITY AND MOLECULAR MODELLING STUDIES(2021-08-06T00:00:00Z) Trawally, Muhammed; DEMİR YAZICI, KÜBRA; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA; GÜZEL AKDEMİR, ÖZLEN; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA