IN SILICO MOLECULAR DOCKING, ADMET AND MOLECULAR DYNAMICS STUDIES ON AN EFFICIENT MONOMER FOR ANTI BREAST CANCER ACTIVITY
Authors: J. Johncy Caroline* And C.Subha

ABSTRACT
Breast cancer in woman is the most prevalent cancer and in 2018 there were about 2 million new cases reported. The highest prevalence of breast cancer is registered in Belgium followed by Luxembourg. Mammary gland is a major organ in sperm that can secrete, synthesise and supply milk to children for nutrition, enhancement and defence. In ordinary and diseased conditions, oestrogen receptors (ER) are essential for improving the relevant treatment strategies. Estrogen is the key factor of the prognosis of breast cancer and plays a large part in improving breast cancer. Molecular docking and linking, free energy experiments investigated potent monomer binding mode, residue interaction patterns, and docking energy. Molecular dynamics research tracked the lead compounds and the diverse molecular stability and dynamic behaviour. The ADMET study was expected to demonstrate the drug like properties of monomer M4. Keywords: Breast Cancer, Molecular Docking, ADMET, Molecular dynamics, monomer
Publication date: 01/11/2021
    https://www.ijbpas.com/pdf/2021/November/MS_IJBPAS_2021_NOV_SPCL1023.pdf
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https://doi.org/10.31032/IJBPAS/2021/10.11.1023