The discovery of the natural compound Boeravinone-C as a potential antiobesity drug candidate targeting pancreatic lipase using chemo-informatics-based approaches.

Obesity is a metabolic disorder distinguished by excess fat deposition in fatty tissues. Pancreatic lipase is one of the promising drug targets for treating obesity due to its critical role in the hydrolysis of triglycerides into mono-glycerides and free fatty acids. Due to unsatisfactory results and severe side effects of the current drugs available for treating obesity, there is an urgent need to identify novel therapeutic options. Boerhaavia diffusa is one of the widely known species of flowering plant commonly known as Punamava. Extracts from Punamava plants have been widely used in treating countless ailments in traditional medicine. Recently, multiple reports demonstrated the potential antiobesity activity of B. diffusa plant extracts. In this scenario, we have evaluated numerous reported B. diffusa against pancreatic lipase drug targets to identify which reported phytochemicals to have the most promising potential to act as an inhibitor for pancreatic lipase using computational approaches. All the twenty-four phytochemicals from Boerhaavia diffusa were identified as significantly strong binders with a range of binding energies between -6.0 to -8.0 Kcal/mol inside the pancreatic lipase active binding site. On the other hand, we calculated 2D Quantitative Structure-Activity Relationship (QSAR) molecular descriptor properties adhered to Lipinski's rule of five. Between twenty-four phytochemicals evaluated, Boeravinone-C, with a range binding energy of -8.0 Kcal/mol, was discovered as the best lead-like molecule, compared to marketed Orlistat, which has shown -5.6 Kcal/mol of binding energy. Conclusively, Boeravinone-C from B. diffusa extract showed promising inhibitory potential against pancreatic lipase worth further evaluation.

Promising Role of Phytochemicals in the Prevention and Treatment of Cancer.

Cancer has a significant social consequence all around the globe. In 2020, approximately 19.3 million new cases of cancer were diagnosed worldwide, with about 10 million cancer deaths. In the next two decades, suspected cases are anticipated to increase by roughly 47%. The rising number of cancer patients, as well as the inadequacy of traditional chemotherapeutic agents, radiation, and invasive surgical procedures, all rely on massive cell death with hardly any selectivity, causing severe toxicities. In comparison to synthetic medications, there has subsequently been a surge in international interest in non-synthetic and alternative remedies, owing to improved adaptability and reduced side effects of drug responses. Several people with cancer prefer alternative and complementary therapy treatments, and natural remedies play a crucial role in cancer chemoprevention as they are thought to be harmless, offer fewer negative effects, and become less sufficient to evoke addiction by the wider population. Chemopreventive, antimetastatic, cytotoxic, and anti-angiogenic actions are among the promising clinical advantages, which have been established in vitro research and certain clinical trials; nevertheless, additional clinical trials are needed. This review examines several phytochemicals that may have anti-cancer and chemopreventive properties.