A Molecular Docking Study of Indirubin against Hyperlipidemia

Author: Anant Kumar Patel

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Abstract

A known risk factor for cardiovascular disease is hyperlipidemia. Herbal therapy for hyperlipidemia is popular because it has fewer adverse effects, is less costly, and is readily available. Several medicinal herbs have been shown in studies to lower blood cholesterol levels by decreasing the action of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMG-CoA). However, conducting direct studies in animals and humans to evaluate the efficacy of herbal medicines for hyperlipidemia raises ethical concerns. Therefore, in silico studies are needed to evaluate the safety and efficacy of phytoconstituents before animal studies and human clinical trials are conducted. This problem can be solved by using insilico studies. Molecular docking has become increasingly important as a method for drug discovery. Molecular docking can be used to mimic the interaction between a small molecule and a protein at the atomic level. This allows us to define the behaviour of small molecules at the binding sites of target proteins and shed light on important biochemical processes. Molecular docking plays an important role in the search for new drugs at significantly lower cost and faster pace. Aim: The aim of study is to evaluate natural products against hyperlipidemia using molecular docking. Material and Natural products were selected after reading various literature sources. For each chemical, a molecular structure file was obtained from the PubChem database. The crystal structure of the protein (PDB ID: 1HW9) was obtained from the Protein Data Bank. The protein molecule was freed from all bound components (ligands and cofactors) and solvent molecules. Active binding sites were identified using the Biovia Discovery programme. PyRx was used to perform docking experiments for natural products against the 1HW9 protein. Results of molecular docking study shows that indirubin has a more negative binding energy value than atorvastatin and it binds more strongly to the receptor HMG-CoA. In this study, numerous bioactive compounds were screened using the Lipinski five rule, and indirubin was found to be more stable toward HMG-CoA than atorvastatin. It can be concluded that the indirubin has the potential to act as an antihyperlipidemic drug.

Keywords

Dyslipidemia, Molecular Docking, Bioactive, Hyperlipidemia, Indirubin

Conclusion

Currently, hyperlipidemia is a major problem. Conventional treatments can have harmful side effects. This fact has aroused interest in alternative cures, especially in industrialized nations. In nature, there are a variety of healing plants and herbs. More than 200 plants are traditionally used for the prevention and treatment of hyperlipidemia. The relationship between lowering low-density lipoproteins and lower mortality from cardiovascular disease is well known. The lipid-lowering effects of medicinal plants are currently being studied worldwide as part of phytomedicine research for these diseases. However, there are a few herbs that can help people with the aforementioned conditions. The antihyperlipidemic properties of plants are crucial for reducing atherosclerosis. As a result, there is growing interest in natural lipid-lowering therapies. The antihyperlipidemic effects of traditional medicinal plants in many populations are of greater benefit for the development of new drugs to prevent dyslipidemia or atherosclerosis. The bioactive components of herbal medicine may be able to control the multifaceted intervention in lipid metabolism that occurs during the uptake, production, transport, and excretion of cholesterol. The main findings on the use of herbal medicines are positive and suggest potential applications of these drugs in a variety of patient populations. Alkaloids, saponins, polyphenols, and flavonoids are some of the many active ingredients. In addition, the bioactive ingredients in herbal medicines are generally safe and well tolerated. In general, the bioactive constituents of herbal medicines have a variety of mechanisms of action that allow them to alter various metabolic pathways and control plasma lipid levels. Overall, the use of herbal molecules to treat hyperlipidemia offers a potential alternative to statins that may be safer and provide additional health benefits. However, further research is needed to fully understand the mechanisms behind the lipid-lowering effects of these molecules and to determine their optimal use in clinical practice.

References

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How to cite this article

Anant Kumar Patel (2023). A Molecular Docking Study of Indirubin against Hyperlipidemia. Biological Forum – An International Journal, 15(2): 246-255.