Anti-Obesity Property of Indian Tulsi Plant (Ocimum sanctum) using in silico Docking Techniques

Author: Kevizano Jacinta Zashumo, D. Leelavathi and Hezinglila Grace

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Abstract

The complex disease of obesity is brought on by having too much body fat. Obesity is a health issue and a significant contributor to the emergence of major conditions such as insulin resistance, type 2 diabetes, cardiovascular disease, and several cancers. The sedentary lifestyle, dietary fluctuations, inactivity, stress, etc. are additional contributing factors. This study aims to screen the bioactive compound Eugenol from Ocimum sanctum which has anti-obesity properties and to provide scientific justification in terms of its active ingredient to the target protein for treating obesity using molecular drug docking. In the early stages of drug development, rational drug design is a key step for preclinical studies of therapeutic properties. Even with recognised biological targets, it is challenging to produce a lead chemical and an effective treatment. In this in silico research target identification was done by NCBI and sequence conversion was done using Emboss Seqrt for the mutated Obesity Gene LEP. Protein binding sites were carried out using Cavity Plus Server where six cavity pockets were identified for Binding. Molecular docking was done using HDOCK. Docking is done to check the stability of the binding of the Ligand with its Receptor. The results elucidated show how the anti-obesity compound Eugenol can help in minimising the obesity properties since it has direct binding affinities with mutated LEP Gene. Computer-aided systems biology techniques have reignited interest in harnessing medications' natural promiscuity to repurpose known pharmaceuticals, understand and generate drugs, focus on intricate paths, and discover links between distantly linked proteins; these initiatives will have far-reaching consequences.

Keywords

Obesity, LEP, HDock, Eugenol, Ocimum sanctum, silico Docking Techniques

Conclusion

The molecular docking in silico study done on Eugenol and mutated LEP Gene can be used to mimic the interaction between a small molecule and a protein at the atomic level, allowing us to characterise small molecule behaviour in target protein binding sites as well as elucidate key biochemical processes. With the findings of the binding sites using Cavity pockets the Ligand will be able to bind the Receptor and form a stable complex in minimising the mutational effect of the mutated LEP Gene since Ocimum sanctum has anti-obesity properties.

References

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How to cite this article

Kevizano Jacinta Zashumo, D. Leelavathi and Hezinglila Grace (2023). Anti-Obesity Property of Indian Tulsi Plant (Ocimum sanctum) using in silico Docking Techniques. Biological Forum – An International Journal, 15(2): 09-14.