An In silico Study on Lipid Lowering Activity of Sophorin

Author: Anant Kumar Patel and Nandu Rangnath Kayande

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Abstract

Hyperlipidemia is a well-known risk factor for cardiovascular disease. Some herbs, like sophorin, have been reported as having hypolipidemic properties, which means they could potentially lower cholesterol levels. Sophorin is also known as Rutin. It is difficult to test a plant compound directly for lipid disorder and this problem is overcome by the use of molecular docking study because it does not involve any ethical issue. While there is some evidence to support this claim, there is also conflicting data in the literature. Further research would be necessary to confirm these findings and fully understand their effects. To address this issue, scientists often use in silico studies, including computer simulations such as molecular docking, to investigate how different substances interact with proteins in the body. Molecular docking can aid in identifying potential compounds for lipid disorder treatment, providing valuable insights for drug discovery and development. The goal of study is to explore whether certain natural products may be effective in treating high cholesterol, or hyperlipidemia, using computational methods. Study began by selecting candidate compound based on existing scientific literature and then retrieved a digital model of the compound from the pubchem database. Next, accessed a crystallographic structure of the relevant protein (PDB ID: 1HW9) from the Protein Data Bank. After cleaning up the structure to remove any non-essential elements, we utilized special software called biovia discovery program to identify possible active binding sites where our chosen compound might fit perfectly into place. With all this preparation done, molecular docking simulation study has been conducted using pyrx tool. ADME study is also performed using pkCSM web tool. Analysis indicates that the selected natural product, namely saphorin, had higher affinity towards the protein compared to the commercial drug atorvastatin. As a conclusion, experiment demonstrates that saphorin has significant potential to serve as an alternative treatment option for patients suffering from hyperlipidemia.

Keywords

ADME, Cholesterol, Molecular Docking, Herb, HMG-CoA reductase, Antihyperlipidemic Agent, Lipid Disorder, Atorvastatin, quercetin-3-O-rutinoside

Conclusion

In conclusion, the use of plant compounds for managing lipid disorders has shown promising results as an alternative to allopathic drugs. Plant compounds such as flavonoids, polyphenols, and terpenoids have been found to possess lipid-lowering properties and can potentially reduce the risk of cardiovascular diseases. Moreover, plant compounds have fewer side effects compared to allopathic drugs, making them a safer option for long-term use. However, further research is needed to validate the efficacy and safety of plant compounds for managing lipid disorders. In the future, the use of plant compounds for managing lipid disorders may become more widespread, especially as more people seek natural and holistic approaches to healthcare. Additionally, the development of novel plant-based therapies and the identification of new plant compounds with lipid-lowering properties may lead to the discovery of new treatments for managing lipid disorders. The in silico study of rutin for lipid lowering activity against HMG-CoA reductase has provided valuable insights into the potential of rutin as a therapeutic agent for managing hyperlipidemia. The study utilized molecular docking and molecular dynamics simulations to investigate the binding interactions between rutin and HMG-CoA reductase, and the results suggest that rutin has a high binding affinity for the enzyme's active site. Additionally, the study revealed that rutin can potentially inhibit the activity of HMG-CoA reductase, which is a key enzyme involved in cholesterol biosynthesis. These findings provide a strong foundation for further studies to validate the lipid-lowering activity of rutin and its potential as a therapeutic agent for managing hyperlipidemia.

References

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How to cite this article

Anant Kumar Patel and Nandu Rangnath Kayande (2023). An In silico Study on Lipid Lowering Activity of Sophorin. Biological Forum – An International Journal, 15(5): 69-80.