Thiosemicarbazone-benzene Sulfonamide Derivatives as Human Carbonic Anhydrases Inhibitors: Synthesis, Characterization, and In silico Studies

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dc.authoridKaya, kerem/0000-0002-5736-488X
dc.authoridangeli, andrea/0000-0002-1470-7192
dc.authoridTrawally, Muhammed/0000-0002-0041-4612
dc.authoridSupuran, Claudiu/0000-0003-4262-0323
dc.authoridAkdemir, Atilla/0000-0001-8416-0471
dc.authorwosidKaya, kerem/V-3794-2017
dc.authorwosidAkdemir, Atilla/G-2595-2015
dc.contributor.authorTrawally, Muhammed
dc.contributor.authorDemir-Yazici, Kuebra
dc.contributor.authorAngeli, Andrea
dc.contributor.authorKaya, Kerem
dc.contributor.authorAkdemir, Atilla
dc.contributor.authorSupuran, Claudiu T.
dc.contributor.authorGuezel-Akdemir, Oezlen
dc.date.accessioned2024-05-19T14:39:50Z
dc.date.available2024-05-19T14:39:50Z
dc.date.issued2024
dc.departmentİstinye Üniversitesien_US
dc.description.abstractIntroduction: Carbonic anhydrases (CAs) are widespread metalloenzymes with the core function of catalyzing the interconversion of CO2 and HCO3(-). Targeting these enzymes using selective inhibitors has emerged as a promising approach for the development of novel therapeutic agents against multiple diseases. Methods: A series of novel thiosemicarbazone-containing derivatives were synthesized, characterized, and tested for their inhibitory activity against pharmaceutically important human CA I (hCA I), II (hCA II), IX (hCA IX), and XII (hCA XII) using the single tail approach. Results: The compounds generally inhibited the isoenzymes at low nanomolar concentrations, with compound 6b having Ki values of 7.16, 0.31, 92.5, and 375 nM against hCA I, II, IX and XII, respectively. Compound 6e exhibited Ki values of 27.6, 0.34, 872, and 94.5 nM against hCA I, II, IX and XII, respectively. Conclusion: To rationalize the inhibition data, molecular docking studies were conducted, providing insight into the binding mechanisms, molecular interactions, and selectivity of the compounds towards the isoenzymes.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkiye (TUEBIdot;TAK) [118S580]en_US
dc.description.sponsorshipThis work was supported by the Scientific and Technological Research Council of Turkiye (TUEB & Idot;TAK) (Project Number 118S580).en_US
dc.identifier.doi10.2174/0118715206290722240125112447
dc.identifier.endpage667en_US
dc.identifier.issn1871-5206
dc.identifier.issn1875-5992
dc.identifier.issue9en_US
dc.identifier.pmid38367264en_US
dc.identifier.startpage649en_US
dc.identifier.urihttps://doi.org10.2174/0118715206290722240125112447
dc.identifier.urihttps://hdl.handle.net/20.500.12713/4856
dc.identifier.volume24en_US
dc.identifier.wosWOS:001174566900001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.language.isoenen_US
dc.publisherBentham Science Publ Ltden_US
dc.relation.ispartofAnti-Cancer Agents In Medicinal Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmz20240519_kaen_US
dc.subjectCarbonic Anhydraseen_US
dc.subjectBenzenesulfonamideen_US
dc.subjectThiosemicarbazonesen_US
dc.subjectTail Approachen_US
dc.subjectMolecular Dockingen_US
dc.subjectIn Silico Studiesen_US
dc.titleThiosemicarbazone-benzene Sulfonamide Derivatives as Human Carbonic Anhydrases Inhibitors: Synthesis, Characterization, and In silico Studiesen_US
dc.typeArticleen_US

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