Exploring the Potential of Isoindole-1,3-Dione Derivatives as Novel Inhibitors of Aldose Reductase: An In Silico and In Vitro Insight into Therapeutic Strategies for Diabetic Complications

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dc.contributor.authorŞengül, Bülent
dc.contributor.authorGündoğdu, Özlem
dc.contributor.authorKilinç, Namık
dc.contributor.authorKishali, Nurhan
dc.date.accessioned2024-10-04T18:58:41Z
dc.date.available2024-10-04T18:58:41Z
dc.date.issued2024
dc.departmentBayburt Üniversitesien_US
dc.description.abstractThis study explores the potential of isoindole-1,3-dione derivatives as novel inhibitors of aldose reductase (AR), focusing on their in silico and in vitro effects for therapeutic strategies against diabetic complications. Aldose reductase, a critical enzyme in the polyol pathway, plays a significant role in glucose metabolism and has been linked to diabetic complications. In this comprehensive study, isoindole-1,3-dione derivatives were synthesized and evaluated for their inhibitory effects on the recombinant human AR enzyme. The compounds’ inhibitory activities were measured both in vitro and through in silico techniques, employing molecular docking and free binding energy calculations and ADME studies. The newly synthesized compounds demonstrated varied inhibitory effects, with ethyl and phenyl substituents at specific positions enhancing inhibitory activity. Notably, compounds with carboxylic acid derivatives exhibited potent inhibitory effects, especially compound 6 with an IC50 value of 1.649 ?M. In conclusion, this study provides valuable insights into the inhibitory potential of isoindole-1,3-dione derivatives against AR, suggesting their potential therapeutic application in mitigating diabetic complications. The combination of experimental and computational approaches offers a comprehensive understanding of the compounds’ interaction mechanisms and pharmacokinetic profiles, supporting their further exploration as antidiabetic agents. © 2024 Wiley-VCH GmbH.en_US
dc.identifier.doi10.1002/slct.202401852
dc.identifier.issn2365-6549
dc.identifier.issue36en_US
dc.identifier.scopus2-s2.0-85204699790en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1002/slct.202401852
dc.identifier.urihttp://hdl.handle.net/20.500.12403/3970
dc.identifier.volume9en_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherJohn Wiley and Sons Incen_US
dc.relation.ispartofChemistrySelecten_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAldose reductaseen_US
dc.subjectDiabetic complicationsen_US
dc.subjectIsoindole-1,3-dioneen_US
dc.subjectMolecular dockingen_US
dc.titleExploring the Potential of Isoindole-1,3-Dione Derivatives as Novel Inhibitors of Aldose Reductase: An In Silico and In Vitro Insight into Therapeutic Strategies for Diabetic Complicationsen_US
dc.typeArticleen_US

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