A Bioinformatics Approach for the Treatment of Thalassemia using Molecular Docking

Author: Anwesha Chowdhury and Sruthi V.S.

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Abstract

Thalassemia is a major blood disorder that results from significantly reduced or absent synthesis of either the α- or β-globin chains. Alpha Thalassemia is most prevalent in people of African and Southeast Asian descent whereas beta thalassemia in people of Mediterranean descent. The drugs commonly used for the treatment of thalassemia are deferasirox, deferiprone, desferrioxamine, hydroxyurea, and luspatercept. In this study, we have determined that bioactive compounds from the plant species Coptidis Rhizome can also be used for the treatment of thalassemia. The identification of the specific ligands that bind to specific receptor binding sites and identification of the most favorable ligand with the help of molecular docking was attempted. Docking studies revealed that the best hit molecule for alpha thalassemia was the drug Deferasirox and the bioactive Chilenin from CoptidisRhizome and for beta thalassemia was the drug Indicaxanthin and the bioactive Berberine from CoptidisRhizom

Keywords

α- and β-globin chains, Auto Dock, Coptidis Rhizome, Drugs, Mutation, Thalassemia.

Conclusion

Concluding, we can say that the results of this study appear to support the usage of Coptidis Rhizome for the treatment of thalassemia and its related conditions. Coptidis Rhizome has tremendous potential as anti- atherosclerotic, anti-obesity, maintaining lipid effect, and anti-hepatic steatosis effect. Among the bioactive compounds, Chilenin and Berberine was determined to be best for treatment of thalassemia compared to the already available drugs available. Since, thalassemia is a huge burden in many developing countries such as India, this traditional remedy can be exploited to develop a wide range of drugs which in turn will help reduce the global prevalence of thalassemia. In some cases, Coptidis Rhizome has been termed as safe for oral concoction based on traditional dosage and indication. This option can be cost effective solution particularly in developing countries which can be a huge future prospect. Thus, effective, safe and affordable treatment options can be given to tha

References

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How to cite this article

Chowdhury, A. and Sruthi, V.S. (2021). A Bioinformatics Approach for the Treatment of Thalassemia using Molecular Docking. Biological Forum – An International Journal, 13(3): 332-338.