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VOL. 5, ISSUE 6 (2020)
in silico screening of phytochemicals to explore potent anti-breast cancer inhibitors against estrogen receptors
Authors
H Prabhavathi, KR Dasegowda, K Lingaraju, H Raja Naika
Abstract
Breast cancer is the second most common cancer across the globe, there is a need for the development of effective therapeutic agents. Current computational studies play a significant role in identifying new leads for disease treatment. This study was performed to screen the effective bioactive molecules against estrogen receptors. A dataset of plant-based natural anti-breast cancer compounds was selected. Molecular docking was performed to estimate the spatial affinity of target compounds for the active sites of the estrogen receptor. The In silico ADMET studies were performed for the lead molecules. Results showed that Genistein, Daidzein and Panaxadiol are having the best docking score and good binding affinity than other ligands. Hence, Genistein, Daidzein and Panaxadiol can be considered as a better drug candidate for anti-breast cancer inhibitors against estrogen receptors which can be explored further.
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Pages:508-515
How to cite this article:
H Prabhavathi, KR Dasegowda, K Lingaraju, H Raja Naika "<em>in silico</em> screening of phytochemicals to explore potent anti-breast cancer inhibitors against estrogen receptors". International Journal of Botany Studies, Vol 5, Issue 6, 2020, Pages 508-515
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