A Druggability study to Probe immunomodulatory Unani plants as active Inhibitors of Pseudotyped Particle Cell Entry

Abstract

Medicinal herbs, plants and their products show revolutionized effect in modern therapeutic system. Industries used their activity as antioxidant, antitoxin, antimicrobial, immune booster and many others and use them accordingly as the prime agent to produce cosmetics, food, drug synthesis etc. Unani is one of the traditional therapeutic system which use medicinal herbs mostly for making their herbal medicines. There are several immunomodulatory herbs along with their phytochemicals are present to serve their best. Bioassay is the method of analysis to find out the potency or concentration of any substance when effect on living things. Sars Cov-2 virus and its fatal outbreak is a real threat to modern society. To perform in vitro procedure to screened out small molecule inhibitors of this malicious pseudo typed particle cell entry, Dr. Whittaker's group use this bioassay system like PubChem AID: 1479144, PubChem AID: 1479149, PubChem AID: 1479150 and PubChem AID: 1494158. This in silico study is to show the potency of the phytochemicals of traditional herbs of Unani, as if inhibitors by means of machine learning with the help of WEKA. The ADMET study and molecular docking with Mpro (6lu7 chain A) is also done to test the druggability and binding affinity of the qualified phytochemicals.