Eur J Chem volume 11, issue 1, P30-36 2020 DOI: 10.5155/eurjchem.11.1.30-36.1955
Mustapha Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, David Ebuka Arthur, Bello Abdullahi Umar, Muhammad Tukur Ibrahim
Abstract:

A virtual docking simulation study was performed on thirty-five newly discovered compounds of N-(2-phenoxy) ethyl imidazo[1,2-a] pyridine-3-carboxamide (IPA), to explore their theoretical binding energy and pose with the active sites of the Mycobacterium tuberculosis target (DNA gyrase). The chemical structures of the compounds were drawn correctly with ChemDraw Ultra software, and then geometrically optimized at DFT level of theory with Spartan 14 software package. Consequently, the docking analysis was c…

x
Citation Types
0
1
0
Paper Sections
0
0
0
0
0
Article Types
0
0
0
0