Synthesis, molecular docking and ADMET prediction of novel swertiamarin analogues for the restoration of type-2 diabetes: an enzyme inhibition assay
Satyender Kumar, Prakash Niguram, Vedika Bhat, Seema Jinagal, Vinod Jairaj, Neelam Chauhan
Abstract
studies. Besides, the pharmacokinetics and toxicity of analogues were predicted using ADMET software. In a nutshell, the compounds such as SNIPERSV-4 and SNIPERSV-7 have to pose good initial activity (∼48%) in comparison to standard DPP-IV inhibitor (Sitagliptin). The identified analogues were active against DPP-IV enzyme in preliminary screenings, and these findings would be beneficial for the new age researchers also for the therapy of diabetes.
Topics & Concepts
ChemistrySitagliptinIn silicoEnzymeDocking (animal)Active siteOxidizing agentPharmacologyBiochemistryStereochemistryCombinatorial chemistryDiabetes mellitusType 2 diabetesMedicineOrganic chemistryEndocrinologyNursingGenePeptidase Inhibition and AnalysisMicrobial Natural Products and BiosynthesisEnzyme function and inhibition