AN IN SILICO APPROACH FOR TYPE Ⅱ DIABETES MELLITUS OF PSIDIUM GUAJAVA L

Abstract

Objective: The present study aimed to explore the various therapeutic components present in Psidium guajava L. leaves for the treatment of Type II Diabetes mellitus through in silico molecular docking study. Diabetes Mellitus is one of the widely spreading chronic metabolic disease that affecting a large number of populations.  The management of Type II diabetes mellitus is now a days very important and essential.

Methods: A series of databases were used to identify the active therapeutic components and their corresponding potential targets. Molecular docking is an important computational tool used for the extensive in silico study of medicinal plants through interaction between active components against target protein.  Various databases like Pyrx, Dr. Duke’s Phytochemical and Ethnobotanical Databases, Pubchem and Biovia Discovery Studio 4.5 were used for the study. Many therapeutic components found in the leaves of guava plant can help to treat a variety of chronic metabolic illnesses, including Type II diabetes mellitus. Herbal Drugs are given to treat diabetes mellitus because of their high efficacy, low cost, and fewer adverse effects.

Results: The interaction between selected ligands such as Pyrogallol-Tannins, Oleanolic-acid, Guavin-B, Strictinin, Crataegolic-acid, Maslinic acid and Procyanidin-B2 and target protein PTP1b, exhibited the lowest binding energies, measuring -8.9, -8.9, -8.8, -8.7, -8.5, -8.5 and -8.2, respectively.

Conclusion: These results suggested that guava leaves can be used as an effective treatment for Type II diabetes mellitus as it contained many active phytoconstituents like tannins, phenolic compounds, triterpenoids, and flavonoids by using PTP1B as a major protein.