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.pdfDownload PDFhttps://doi.org/10.31032/IJBPAS/2021/10.11.1023