Molecular Docking studies on a series of Cdimethylated chalcones towards possible pharmacological agents

DOI: https://doi.org/10.55434/CBI.2019.7108

Abstract

An In Silico study was carried to know on a series of chalcone ligands to understand their binding pattern with various molecular targets and to evaluate the possible pharmacological potency with relevance to their literature reports. In order for this, molecular docking was carried out on the active molecules against IMPDH and PARP1 enzymes to find out their binding pattern. The analysis was done by testing ligands against various molecular targets like 1PAX, 4OQA, 3WIL, 1FCZ, 2ZBH, 1YQT, 1SRE and 1ME7 for various cancers, HIV, Immunotherapy, Viral infection, Inflammaation, etc.