ISSN : 2663-2187

Computational Analysis of Some Phytoconstituents for Breast Cancer as Potential Anticancer Drugs

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Vishnu Pulavarthy, Sangram M. Mane, Niloufer K. Kotwal, Vandana Pandey, M S Srikanth, Dheeraj Upadhyay, Chetan DM, Sushama Rawat
ยป doi: 10.33472/AFJBS.6.Si2.2024.2674-2682

Abstract

Recently, it has been suggested that adding natural substances, like phytochemicals, might help stop the growth of cancers. This study uses docking methods to look into what role these nutrients might play in cancers, especially prostate and breast cancer. Breast cancer is the most common type of cancer in women around the world. Breast cells, both healthy and cancerous, have receptors that connect to progesterone and estrogen, which causes the cells to grow. The important feature has been used to study how phytochemicals bind to these receptors and cause an opposite response that stops the growth of cancer cells that are out of control. Most of the drugs that are given to people with breast cancer stop estrogen from working on these cells. They used a docking method to join different groups of phytochemicals, such as quercetin, genistein, and daidin, to the active site of the human estrogen receptor (PDB ID: 2IOK). The molecular docking method used in this study was successful in finding possible plants that could be used as anti-cancer drugs to treat breast cancer. Researchers have found that Leu346, Leu384, Leu387, Phe404, and Leu525 are the most important residues that could be used as treatment targets. These results come from a lot of different numbers, such as binding energy, docking energy, drug similarity, and others. It's possible that Daidzein, Genistein, and Quercetin could be the first molecules to stop messages that are strong for human breast cancer. This study is the first step in the natural process of making new, strong, and specific human estrogen inhibitors for cancer treatment

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