A Molecular Docking Study of Solasodine against HMG-CoA Reductase

Author: Anant Kumar Patel

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Abstract

In silico methods are becoming an essential component of the drug discovery process. This is mostly because they have the ability to have an impact on the entire drug development path, finding and discovering new prospective medications at a markedly reduced cost and time. Hyperlipidemia is a recognized risk factor for cardiovascular disease. It is common to treat hyperlipidemia with herbs. Yet, it presents ethical questions to test the effectiveness of herbal remedies for hyperlipidemia on humans and animals directly. Consequently, before conducting animal research and human clinical trials, in silico studies are required to assess the safety and efficacy of phytoconstituents. The atomic-level interaction between a ligand and a protein can be mimicked via molecular docking. The purpose of the study is to use molecular docking to assess the effectiveness of natural compounds against hyperlipidemia. One of the major challenges in molecular docking studies of solasodine is the accurate prediction of the binding affinity. After reading several literary sources, natural products were chosen. A molecular structure file for each substance was downloaded from the Pub Chem database. The Protein Data Bank provided the protein's crystal structure (PDB ID: 1HW9). The solvent molecules, cofactors, and ligands were released from the protein molecule. The Biovia Discovery software was used to find active binding sites. Docking tests for natural products against the 1HW9 protein were carried out using PyRx. Pyrx generates multiple conformations of ligand which improves the accuracy of the docking. According to the molecular docking research, solasodine binds to the HMG-CoA receptor more robustly and has a lower binding energy value than atorvastatin. It was discovered that atorvastatin was not as stable toward HMG-CoA as solasodine. Solasodine has the ability to act as a hypolipidemic agent.

Keywords

Molecular Docking, Natural Compounds, Lipid Disorder, Insilico Study

Conclusion

Hyperlipidemia is currently a big issue. Traditional therapies can have negative consequences. This has sparked interest in alternative treatments, particularly in developed countries. There are several therapeutic plants and herbs in nature. Around 200 herbs have historically been used to prevent and cure hyperlipidemia. The link between reduced LDL cholesterol levels and lower cardiovascular disease mortality is widely established. The lipid-lowering benefits of medicinal plants are now being researched as part of phytomedicine research for various disorders all over the world. There are, however, a few plants that can benefit people suffering from the aforementioned illnesses. Plants' antihyperlipidemic qualities are critical for lowering atherosclerosis. As a result, natural lipid-lowering medicines are gaining popularity. It is more helpful to use traditional medicinal herbs when creating novel medications to treat lipid diseases. Herbal compounds offer a potentially safer and more health-beneficial alternative to statins. Positive primary findings on the usage of herbal remedies point to potential uses for these medications in a range of patient groups. The bioactive components of herbal medications are also often safe and well-tolerated. This study has explained that plant-derived products may be useful for hyperlipidemia. For the management of lipid disorders, plant-derived drugs are highly necessary at this stage. The molecular docking study shows that solasodine has a stronger negative binding affinity than atorvastatin and may be useful in treating hyperlipidemia. But, additional investigation is required to discover the processes behind these compounds' lipid-lowering actions, to understand anti-hyperlipidemic activity in different animal models, and to determine the best way to employ them in human beings.

References

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How to cite this article

Anant Kumar Patel (2023). A Molecular Docking Study of Solasodine against HMG-CoA Reductase. Biological Forum – An International Journal, 15(3): 32-39.