Abstract

Background:Breast cancer is a serious global health concern causing the highest mortality rate in females. Available synthetic drugs to treat breast cancer are marred by extreme toxicity issues and suggest some alternate route to address the dreadful disease. The present study is an insilico effort to identify the antitumor potential of specific plant metabolites.

Materials and Methods: The structure of the Human Estrogen Receptor (HER), a potential target of breast cancer was chosen as target molecules, retrieved from the Protein Data Bank (PDB) and the structures of flavonoid compounds have been collected from PubChem database. Molecular docking and drug similarity studies were performed for these natural compounds to assess and analyze the anti-breast cancer action.

Results: Replacement of pharmacophore group in genistein with chlorate group and beta glycoside in daidzein was shown to possess more affinity as compared to that of standard drugs Tamoxifen, Toremifene and Raloxifene. The interaction studies suggest that the compound could serve as probable lead molecules in drug development. Both the compounds also exhibited the highest binding affinity with human ER more significant than 8.0 Kcal/mol.

Conclusion: The results of this study can be implemented to design novel anti-cancerous drugs in the coming future. The interaction studies of the standard drug with Breast cancer markers serve as a tool to synthesize new compounds of desired efficacy against the deadly disease.

Keywords: Dietary Phenols; Human Estrogen Receptor; Tamoxifen; Breast Cancer; Calycosin; Daidzein; Geinstein; Naringenin

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Citation

Citation: Mohd Ahmar Rauf., et al. “A Recepto-Informatics Study of the Natural Nutraceuticals having Potential Anticancer Efficacy for Breast Cancer". Acta Scientific Pharmaceutical Sciences 4.2 (2020): 24-31.