Journal of Proteomics & Bioinformatics
Open Access

Abstract

Docking Studies of Selected Flavonoids- Natural Healing Agent against Breast Cancer Using Virtual Screening Approach

KAVI PRABA A

Breast cancer is the leading causes of disease among female individuals throughout the world causing the highest mortality rate in females, which occur due to uncontrolled cell division and can metastasize to future parts of the human. The Estrogen receptor in typical and diseased states is important for the improvement of applicable therapeutic approaches. Two major forms of ER exist ERα and ERβ, which are determined by discrete genes. Estrogens play a vital role in breast cancer growth with ERα being the mainly substantial interpreter of breast cancer prognosis. Now a day maximum of the drugs currently used for breast cancer treatment have several side effects and for that reason, we focused on natural compounds which do not exhibit any toxic effect against the normal human cell. Materials and Methodology: structure of the HER2 receptor was retrieved from a protein data bank and the structure of flavonoids compounds have been collected from PubChem databases. Molecular docking, Lipinski's rule, and Pharmacophore-based virtual screening methods were performed for those natural flavonoids compounds to evaluate and analyze the anti-breast cancer activity. Result: finally, five compounds that satisfy Lipinski's rule of five were reported and undergoes for the virtual screening process. The natural compound Daidzein shows the highest binding affinity with the HER2 receptor.

Published Date: 2021-10-29;