Identification of the Therapeutic Protein Targets of 2-Hydroxydicarboxylic Acid and 3D Analysis using Insilico Protocols

Author: Maithreyee S., Prabha V. and Balaji Munivelan

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Abstract

The aim of the Insilico study is to efficiently bind the chemical compound,2-hydroxydicarboxylic acid with the respective protein receptor/targets using Insilico tools. 2-hydroxydicarboxylic acid acts as a food acidity regulator and a fundamental metabolite. The primary methodology focuses on the analysis of the 2D structure of hydroxydicarboxylic acid along with its molecular properties. Bioactivity test and 3D structure prediction are also done. In the second step, the protein targets are bound to the chemical molecule at its active site using advanced Insilico target prediction tool. The results obtained by the study clearly elucidate that based on the various targets identified, the derivatives of 2-hydroxydicarboxylic acid can be discovered for various diseases. The best target molecules which efficiently bind with 2-hydroxydicarboxylic acid were viewed in 3D and molecular dynamics view. The targets identified for this chemical molecule could potentially be used for future drug designing and discovery studies.

Keywords

2-hydroxydicarboxylic acid, target prediction, 3D structure prediction

Conclusion

In pharmaceutical industries, the identification of human diseases targets which can efficiently bind with chemical compounds is a challenge. Overall, our results clearly show that Malic acid can be efficiently used to correct ion-conducting channel issues. Hence, we conclude that Malic acid acts as a potential therapeutic agent for Epilepsy disorder associated to CHRNA7 gene.

References

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How to cite this article

Maithreyee S., Prabha V. and Balaji Munivelan (2023). Identification of the Therapeutic Protein Targets of 2-Hydroxydicarboxylic Acid and 3D Analysis using Insilico Protocols. Biological Forum – An International Journal, 15(4): 688-693.