Biology-oriented drug synthesis and evaluation of secnidazole esters as novel enzyme inhibitors

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dc.authoridParham Taslimi / 0000-0002-3171-0633
dc.authorscopusidParham Taslimi / 56658628800
dc.authorwosidParham Taslimi / AAL-2788-2020
dc.contributor.authorAnsari, Muhammad A.
dc.contributor.authorSaad, Syed M.
dc.contributor.authorKhan, Khalid M.
dc.contributor.authorSalar, Uzma
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTaskin-Tok, Tuğba
dc.contributor.authorSaleem, Faiza
dc.contributor.authorJahangir, Sajid
dc.date.accessioned2021-12-07T11:07:33Z
dc.date.available2021-12-07T11:07:33Z
dc.date.issued2021en_US
dc.departmentİstinye Üniversitesien_US
dc.description.abstractThe identification of novel compounds that can inhibit physiologically and metabolically important drug targets or enzymes has prime importance in medicinal chemistry. With this aim, a range of secnidazole esters 1–30 were synthesized under the heading of biology-oriented drug synthesis by the 1,1?-carbonyldiimidazole-mediated coupling reaction between secnidazole and varyingly benzoic acid derivatives. All compounds were screened for inhibitory activity against human carbonic anhydrase (hCA) I and II, acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and ?-glucosidase. The results indicate that all the synthesized compounds showed potent inhibitory activities against all targets, as compared to the standard inhibitors, revealed by IC50 values. Ki values of the secnidazole derivatives 1–30 for hCA I, hCA II, AChE, BChE, and ?-glucosidase enzymes were obtained in the ranges of 47.37–190.74, 44.38–198.21, 12.14–68.37, 8.04–61.53, and 7.78–45.91?nM, respectively. To assess the enzyme–ligand interactions, the optimized most active compounds 2, 3, 8, 9, 14, 17, and 23 were subjected to molecular docking studies with modeled AChE, BChE, hCA I, hCA II, and ?-glucosidase enzymes, where several important and key interactions were monitored with amino acid residues of each target enzyme.en_US
dc.identifier.citationAnsari, M. A., Saad, S. M., Khan, K. M., Salar, U., Taslimi, P., Taskın-Tok, T., Saleem, F., & Jahangir, S. (2021). Biology-oriented drug synthesis and evaluation of secnidazole esters as novel enzyme ınhibitors. Archiv der Pharmazie, e2100376. Advance online publication.en_US
dc.identifier.doi10.1002/ardp.202100376en_US
dc.identifier.endpage20en_US
dc.identifier.pmid34862640en_US
dc.identifier.scopus2-s2.0-85120490359en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage1en_US
dc.identifier.urihttps://doi.org/10.1002/ardp.202100376
dc.identifier.urihttps://hdl.handle.net/20.500.12713/2312
dc.identifier.wosWOS:000726314100001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.institutionauthorTaslimi, Parham
dc.language.isoenen_US
dc.publisherWileyen_US
dc.relation.ispartofArchiv der Pharmazieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAcetylcholinesteraseen_US
dc.subjectBiology-oriented Drug Synthesisen_US
dc.subjectButyrylcholinesteraseen_US
dc.subjectCarbonic Anhydraseen_US
dc.subjectInhibitorsen_US
dc.subjectMolecular Dockingen_US
dc.subjectα-Glucosidaseen_US
dc.titleBiology-oriented drug synthesis and evaluation of secnidazole esters as novel enzyme inhibitorsen_US
dc.typeArticleen_US

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