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

Basit Öğe Kaydı
dc.contributor.authorTrawally, M.
dc.contributor.authorDemir-Yazıcı, K.
dc.contributor.authorAngeli, A.
dc.contributor.authorKaya, K.
dc.contributor.authorAkdemir, A.
dc.contributor.authorSupuran, C.T.
dc.contributor.authorGüzel-Akdemir Ö.
dc.date.accessioned2024-05-19T14:33:26Z
dc.date.available2024-05-19T14:33:26Z
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. © 2024 Bentham Science Publishers.en_US
dc.description.sponsorshipTürkiye Bilimsel ve Teknolojik Araştırma Kurumu, TÜBİTAK: 118S580en_US
dc.description.sponsorshipThis work was supported by the Scientific and Technological Research Council of Türkiye (TÜBİTAK) (Project Number 118S580).en_US
dc.identifier.doi10.2174/0118715206290722240125112447
dc.identifier.endpage667en_US
dc.identifier.issn1871-5206
dc.identifier.issue9en_US
dc.identifier.pmid38367264en_US
dc.identifier.scopus2-s2.0-85189137114en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage649en_US
dc.identifier.urihttps://doi.org/10.2174/0118715206290722240125112447
dc.identifier.urihttps://hdl.handle.net/20.500.12713/4232
dc.identifier.volume24en_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherBentham Science Publishersen_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.subjectBenzenesulfonamideen_US
dc.subjectCarbonic Anhydraseen_US
dc.subjectİn Silico Studiesen_US
dc.subjectMolecular Dockingen_US
dc.subjectTail Approachen_US
dc.subjectThiosemicarbazonesen_US
dc.titleThiosemicarbazone-benzenesulfonamide Derivatives as Human Carbonic Anhydrases Inhibitors: Synthesis, Characterization, and In silico Studiesen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

Scopus İndeksli Yayınlar Koleksiyonu
PubMed İndeksli Yayınlar Koleksiyonu