Synthesis, molecular docking and ADMET prediction of novel swertiamarin analogues for the restoration of type-2 diabetes: an enzyme inhibition assay.
Swertiamarin is a lead, biologically active compound obtained from Enicostemma littorale Blume and known to be identified for the anti-diabetic activity. Present work comprises the synthesis and structural optimization of seven novel swertiamarin analogues and those were not being reported elsewhere...
| Publicado en: | Natural Product Research Vol. 36; no. 9; pp. 2197 - 2208 |
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| Autores principales: | , , , , , |
| Formato: | Journal Article |
| Publicado: |
Taylor & Francis Ltd
May2022
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=156279353&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 156279353 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 14786419 RFT jtl: Natural Product Research issn: 14786419 maglogo: Y pubinfo: dt: May2022 vid: 36 iid: 9 pid: 377 pub: Taylor & Francis Ltd place: Philadelphia, Pennsylvania artinfo: ui: 156279353 10.1080/14786419.2020.1825428 156279353 ppf: 2197 ppct: 11 formats: tig: atl: Synthesis, molecular docking and ADMET prediction of novel swertiamarin analogues for the restoration of type-2 diabetes: an enzyme inhibition assay. aug: au: Kumar, Satyender Niguram, Prakash Bhat, Vedika Jinagal, Seema Jairaj, Vinod Chauhan, Neelam affil: Department of Natural Products, National Institute of Pharmaceutical Education and Research (NIPER) - Ahmedabad, Gandhinagar, Gujarat, India sug: ab: Swertiamarin is a lead, biologically active compound obtained from Enicostemma littorale Blume and known to be identified for the anti-diabetic activity. Present work comprises the synthesis and structural optimization of seven novel swertiamarin analogues and those were not being reported elsewhere till date. Swertiamarin was isolated, followed by modifications that have been accomplished amidst fluorinating, acetylating and oxidizing agents and also performed chromatographic purity and characterization of analogues. Furthermore, the swertiamarin analogues were screened for dipeptidyl peptidase IV (DPP-IV) enzyme inhibition with in silico 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. pubtype: Academic Journal doctype: Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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