Publication:
In Search of Novel SGLT2 Inhibitors by High-throughput Virtual Screening

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dc.contributor.authorDebnath, Abhijit
dc.contributor.authorSharma, Shalini
dc.contributor.authorMazumder, Rupa
dc.contributor.authorMazumder, Avijit
dc.contributor.authorSingh, Rajesh
dc.contributor.authorKumar, Ankit
dc.contributor.authorDua, Arpita
dc.contributor.authorSinghal, Priya
dc.contributor.authorKumar, Arvind
dc.contributor.authorSingh, Gurvinder
dc.date.accessioned2025-02-28T05:39:00Z
dc.date.available2025-02-28T05:39:00Z
dc.date.issued2024
dc.description.abstractBackground: Type 2 diabetes mellitus constitutes approximately 90% of all reported forms of diabetes mellitus. Insulin resistance characterizes this manifestation of diabetes. The prevalence of this condition is commonly observed in patients aged 45 and above; however, there is an emerging pattern of younger cohorts receiving diagnoses primarily attributed to lifestyle-related variables, including obesity, sedentary behavior, and poor dietary choices. The enzyme SGLT2 exerts a negative regulatory effect on insulin signaling pathways, resulting in the development of insulin resistance and subsequent elevation of blood glucose levels. The maintenance of glucose homeostasis relies on the proper functioning of insulin signaling pathways, while disruptions in insulin signaling can contribute to the development of type 2 diabetes. Objective:  Our study aimed to identify novel SGLT2 inhibitors by high-throughput virtual Screening. Methods:  We screened the May bridge Hit Discover database to identify potent hits followed by druglikeness, synthetic accessibility, PAINS alert, toxicity estimation, ADME assessment, and consensus molecular docking. Results:  The screening process led to the identification of three molecules that demonstrated significant binding affinity, favorable drug-like properties, effective ADME, and minimal toxicity. Conclusion: The identified molecules could manage T2DM effectively by inhibiting SGLT2, providing a promising avenue for future therapeutic strategies. © 2024 Bentham Science Publishers.
dc.identifier.doihttps://doi.org/10.2174/0115701638267615231123160650
dc.identifier.issn15701638
dc.identifier.urihttps://dl.bhu.ac.in/ir/handle/123456789/58438
dc.publisherBentham Science Publishers
dc.subjectDocking
dc.subjectSGLT2
dc.subjectSGLT2 inhibitor
dc.subjectSwissADME
dc.subjectT2DM drugs
dc.subjectType 2 diabetes mellitus
dc.titleIn Search of Novel SGLT2 Inhibitors by High-throughput Virtual Screening
dc.typeArticle
dspace.entity.typePublication
journal.titleCurrent Drug Discovery Technologies
journalvolume.identifier.volume21

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