In Silico Pesticide Discovery for New Anti-Tobacco Mosaic Virus Agents: Reactivity, Molecular Docking, and Molecular Dynamics Simulations

Considerable data are available regarding the molecular genetics of tobacco mosaic virus. The disease caused by virus is still out control due to lack an efficient functional antagonist chemical molecule. Extensive research was carried try find effective new anti-tobacco agents, however no study could agent which completely inhibit In recent years, docking, combined with dynamics, considered be one most important methods drug discovery and design, were used evaluate type binding between ligand its protein enzyme. aim current work assess in silico activity for a selection 41 2 reference standard compounds. These compounds chosen examine their reactivity efficiency coat (PDB ID: 2OM3). A comparison made selected that ningnanmycin ribavirin, common inhibitors plant viruses. simulation results obtained from docking dynamics showed two antofine analogues bind receptor better than ribavirin.