Molecular docking studies of selected Erythrina variegata leaves alkaloids towards estrogen receptor (1A52 and 1GWR) and their binding interaction analysis Selvi Jayaram Mari1, Murugalakshmi Mariappan1,*, Gnanaprakash Mariappan2 1PG and Research Department of Chemistry, The Standard Fireworks Rajaratnam College for Women (Autonomous), Sivakasi, Tamil Nadu, India-626123 2Mepco School of Management Studies, Mepco Schlenk Engineering College (Autonomous), Sivakasi, Tamil Nadu, India-626001 *Corresponding Author E-mail: m_murugalakshmi@yahoo.com
Online Published on 5 February, 2024. Abstract Medicinal plants possess many phytochemicals of great therapeutic value and many of them are effective in killing cancer cells. These compounds working by variety of mechanisms and in most of the cases they exhibit their anticancer potentiality by inhibiting many proteins involved in cell growth and division. Molecular docking is a computational approach which facilitates the finding of the best molecule from a group which may bind with the highest affinity with the intended target by providing a virtual biological system. This process works on the basis of specific algorithm and involves scoring function to rank the molecules that fit with the target. The present study has been designed to investigate the potentiality of eight alkaloids compounds from leaves of Erythrina variegata natural products and two anticancer drugs have selected and docked against Estrogen receptor proteins (PDB ID:1A52 and 1GWR) to treat cancer cells. Among them 6-hydroxy genistein ranks first with very good binding with the very good dock score with these receptors and has the potential to treat the cancer cells against the Estrogen receptor proteins 1A52 and 1GWR. Top Keywords EV Alkaloids Compounds, Estrogen Receptor proteins(ERα), ADME, Molecular Docking, Anticancer. Top |