Growing incidence of Type-2 Diabetes Mellitus (T2DM) together with obesity, shows the complexity and progressive nature of these metabolic disorders and alarms the necessity to explore new and alternative therapeutic pathways and drugs. Insulin and leptin resistance are the most common pathophysiological link between T2DM and obesity. Protein tyrosine phosphatase 1B (PTP1B) is thought to interfere with glucose homeostasis and satiety through downregulation of insulin and leptin signaling pathways. Thus, drugs that are potent to impede this enzyme should be effective in treating T2DM and obesity. In line with that, our current study involved screening of potent PTP1B inhibitors from the Natural Product Discovery System (NADI) database using in silico virtual screening and in vitro PTP1B inhibition study. The compounds that showed promising interaction with PTP1B catalytic site were traced down to their plant of origin. Further, the extracts of the plants were tested in vitro for PTP1B inhibition activity. Our results showed promising PTP1B inhibition activity of Pandanus amaryllifolius, and Piper nigrum, therefore might be an attractive option to develop drugs for T2DM and obesity. Further study on P. amaryllifolius in the animal study showed significant weight reduction in the animal. Further molecular dynamic study was carried out to determine the binding interactions between the active isolated compounds and the enzyme.

Pharmacophore-docking virtual screening of protein tyrosine phosphatase 1b identifies natural products with potential activity against diabetes mellitus type-2 and obesity

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.