Synthesis, Antimicrobial Evaluation, and Molecular Modeling Studies of New Thiosemicarbazide-Triazole Hybrid Derivatives of (<i>s</I>)-naproxen

dc.authorid Gunduz, Miyase Gozde/0000-0002-2287-9509
dc.authorscopusid 57196050609
dc.authorscopusid 57219028491
dc.authorscopusid 11440451800
dc.authorscopusid 55894906300
dc.authorwosid Küçükgüzel, Ş.Güniz/AAQ-8954-2021
dc.authorwosid HAN, MUHAMMED İHSAN/ADF-1623-2022
dc.authorwosid INCE, Ufuk/KFT-0343-2024
dc.authorwosid Gunduz, Miyase Gozde/H-5541-2016
dc.contributor.author Küçükgüzel, Şükriye Güniz
dc.contributor.author Ince, Ufuk
dc.contributor.author Gunduz, Miyase Gozde
dc.contributor.author Kucckguzel, S. Guniz
dc.contributor.other Eczacılık Meslek Bilimleri Bölümü
dc.date.accessioned 2025-01-11T13:00:34Z
dc.date.available 2025-01-11T13:00:34Z
dc.date.issued 2022
dc.department Fenerbahçe University en_US
dc.department-temp [Han, M. Ihsan] Erciyes Univ, Fac Pharm, Dept Pharmaceut Chem, TR-38039 Kayseri, Turkey; [Ince, Ufuk] Erciyes Univ, Fac Pharm, Dept Pharmaceut Microbiol, TR-38039 Kayseri, Turkey; [Gunduz, Miyase Gozde] Hacettepe Univ, Fac Pharm, Dept Pharmaceut Chem, TR-06100 Ankara, Turkey; [Kucckguzel, S. Guniz] Fenerbahce Univ, Fac Pharm, Dept Pharmaceut Chem, TR-34758 Istanbul, Turkey en_US
dc.description Gunduz, Miyase Gozde/0000-0002-2287-9509 en_US
dc.description.abstract The discovery of new antimicrobial molecules is crucial for combating drug-resistant bacterial and fungal infections that pose a dangerous threat to human health. In the current research, we applied a molecular hybridization approach to synthesize original thiosemicarbazide-triazole derivatives starting from (S)-naproxen (7a-7k). After structural characterization using FT-IR, H-1-NMR, C-13-NMR, and HR-MS, the obtained compounds were screened for their antimicrobial activities against Staphylococcus aureus ATCC 29213, Escherichia coli ATCC 25922, Candida albicans ATCC 10231 and their isolates, as well. Although all compounds were found to be moderate antimicrobial agents, in general, their antibacterial activities were better than antifungal effects. Among the tested compounds, 7j carrying nitrophenyl group on the thiosemicarbazide functionality represented the best MIC value against S. aureus isolate. Finally, molecular docking studies were performed in the active pocket of S. aureus flavohemoglobin to rationalize the obtained biological data. en_US
dc.description.sponsorship TUBITAK [215S009] en_US
dc.description.sponsorship MGG is grateful to Prof. Dr. Gerhard Wolber, Freie Universitat Berlin, for providing the license of LigandScout 4.2. The synthesis of compounds 1-6 was supported by a grant of TUBITAK (Project number: 215S009). (S)-Naproxen was supplied by Deva Pharmaceutical Industry Inc. en_US
dc.description.woscitationindex Science Citation Index Expanded
dc.identifier.citation 8
dc.identifier.doi 10.1002/cbdv.202100900
dc.identifier.issn 1612-1872
dc.identifier.issn 1612-1880
dc.identifier.issue 4 en_US
dc.identifier.pmid 35191589
dc.identifier.scopus 2-s2.0-85126198321
dc.identifier.scopusquality Q4
dc.identifier.uri https://doi.org/10.1002/cbdv.202100900
dc.identifier.uri https://hdl.handle.net/20.500.14627/37
dc.identifier.volume 19 en_US
dc.identifier.wos WOS:000768882000001
dc.identifier.wosquality Q3
dc.language.iso en en_US
dc.publisher Wiley-v C H verlag Gmbh en_US
dc.relation.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.scopus.citedbyCount 9
dc.subject Antibacterial Activity en_US
dc.subject Antifungal Activity en_US
dc.subject Biological Activity en_US
dc.subject Drug Design en_US
dc.subject Thioether en_US
dc.title Synthesis, Antimicrobial Evaluation, and Molecular Modeling Studies of New Thiosemicarbazide-Triazole Hybrid Derivatives of (<i>s</I>)-naproxen en_US
dc.type Article en_US
dc.wos.citedbyCount 9
dspace.entity.type Publication
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relation.isAuthorOfPublication.latestForDiscovery ccdbdc32-5572-44d5-8ee3-7caed45f6422
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