Person: DİNGİŞ BİRGÜL, SERAP İPEK
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Publication 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 Design 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.Publication Dithiocarbamates 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, ATİLLAPublication Design, synthesis and molecular modeling studies on novel moxifloxacin derivatives as potential antibacterial and antituberculosis agents(2019-07-01T00:00:00Z) TÜRE, ASLI; ALPAY KARAOĞLU, ŞENGÜL; KULABAŞ, NECLA; Dingis, SERAP İPEK; Birgul, Kaan; Bozdeveci, Arif; Krishna, Vagolu Siva; Sriram, Dharmarajan; KÜÇÜKGÜZEL, İLKAY; DİNGİŞ BİRGÜL, SERAP İPEKTwenty-one novel alkyl/acyl/sulfonyl substituted fluoroquinolone derivatives were designed, synthesized and evaluated for their anti-tuberculosis and antibacterial activity. The targeted compounds were synthesized by the introduction of alkyl, acyl or sulfonyl moieties to the basic secondary amine moiety of moxifloxacin. Structures of the compounds were enlightened by FT-IR, H-1 NMR, C-13 NMR and HRMS data besides elemental analysis. Compounds were initially tested in vitro for their anti-mycobacterial activity against Mycobacterium tuberculosis H37Rv using microplate alamar blue assay. Minimal inhibitory concentration (MIC) values of all compounds were found between > 25.00-0.39 mu g/mL while compounds 1, 2 and 13 revealed an outstanding activity against M. tuberculosis H37Rv with MIC values of 0.39 mu g/mL. Activities of compounds 1-21 against to a number of Gram-positive and Gram-negative bacteria and fast growing mycobacterium strain were also investigated by agar well diffusion and microdilution methods. According to antimicrobial activity results, compound 13 was found the most potent derivative with a IC50 value of < 1.23 mu g/mL against Staphylococcus aureus and clinical strain of methicillin-resistant clinical strain of S. aureus.Publication Computational 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 İPEKPublication Synthesis, 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 İPEKPublication 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, ATİLLAPublication 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 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 Antibakteriyel 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