Person: DİNGİŞ BİRGÜL, SERAP İPEK
Now showing 1 - 10 of 11
- PublicationMetadata onlyMandelic 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.
- PublicationMetadata onlyEvaluation 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.
- PublicationMetadata onlyAntibakteriyel Etki Göstermeleri Olası Yeni Moksifloksazin Türevlerinin Sentezi Ve Moleküler Modelleme Çalışmaları(2016-11-05T00:00:00Z) TÜRE, ASLI; KULABAŞ, NECLA; DİNGİŞ BİRGÜL, SERAP İPEK; BİRGÜL, KAAN; KÜÇÜKGÜZEL, İLKAY; DİNGİŞ BİRGÜL, SERAP İPEK
- PublicationMetadata onlyIn Silico Design And Synthesis Of Novel 2-Acylhydrazono-5-Arylmethylene-4-Thiazolidinones As Enoyl-Acyl Carrier Protein Reductase Inhibitors(2021-08-06T00:00:00Z) DİNGİŞ BİRGÜL, SERAP İPEK; KÜÇÜKGÜZEL, İLKAY; AKDEMİR, ATİLLA; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA
- PublicationMetadata onlyDithiocarbamates and dithiocarbonates containing 6-nitrosaccharin scaffold: Synthesis, antimycobacterial activity and in silico target prediction using ensemble docking-based reverse virtual screening(2022-12-01) Trawally M.; Demir Yazıcı K.; Dingiş Birgül S. İ.; Kaya K.; Akdemir A.; Güzel Akdemir Ö.; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLA
- PublicationMetadata onlyComputational Design, Synthesis And Molecular Properties Of Novel Modified Fluoroquinolone Derivatives As Potential Antibacterial And Antituberculosis Agents(2016-09-01T00:00:00Z) Türe, Aslı; Kulabaş, Necla; Dingiş Birgül, Serap İpek; Birgül, Kaan; Küçükgüzel, İlkay; DİNGİŞ BİRGÜL, SERAP İPEK
- PublicationMetadata onlySynthesis, Antituberculosis Activity And Molecular Docking Study Of Some Novel Fluoroquinolone Derivatives(2017-08-31T00:00:00Z) Türe, Aslı; Kulabaş, Necla; Dingiş Birgül, Serap İpek; Birgül, Kaan; Sriram, Dharmarajan; Küçükgüzel, İlkay; DİNGİŞ BİRGÜL, SERAP İPEK
- PublicationMetadata onlyMANDELIC 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
- PublicationMetadata onlyDesign and synthesis of novel peptidomimetics for cancer immunotherapy(2020-07-01T00:00:00Z) Kose, Ceyda; Uysal, Esra; Yazici, Busra; Tugay, Zeynep; Yanik, Hamdullah; Tavukcuoglu, Ece; Gulyuz, Sevgi; AKDEMİR, ATİLLA; ESENDAĞLI, GÜNEŞ; Yilmaz, Ozgur; Alptürk, Onur; DİNGİŞ BİRGÜL, SERAP İPEK; AKDEMİR, ATİLLATumor cells benefit from some certain signals, which are referred to as -immune checkpoints-, to escape immune-mediated destruction. With that in mind, it is believed that the blockade of these points, such as programmed cell death Ligand-1 (PD-L1) and programmed cell death 1 (PD-1), can restore an adaptative immune response against tumoral cells. In this study, we have designed and synthesized some novel peptidomimetics with a 2-aminobenzathiazole scaffold, which targets the PD-1/PDL-1 pathway. In the viability assay, it was found that these compounds decreased the proliferation of peripheral blood mononuclear cells in the concentration of 10 uM. Overall, our results indicate that these novel compounds are potential checkpoint inhibitors for cancer immunotherapy.
- PublicationMetadata onlyMolecular 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, ATİLLA