Derivative of aminoresin as potent anti-virulence agent: Synthesis, spectral (FT-IR, UV, NMR) analysis, molecular docking, effect of polar solvation dynamics, and quantum chemical investigation
Chioma B. Ubah, N. Mujafarkani, Ambika Sundaravadivelu, Nellainayagam Narendran, Obinna C. Godfrey, Sopuruchukwu E. Ogbodo, Michael O. Odey, Innocent Benjamin, A. Jafar Ahamed, Aniekan E. Owen, Bassey E. Agbo, Hitler Louis
Topics & Concepts
ChemistrySolvationDocking (animal)HOMO/LUMOHydrogen bondMolecular dynamicsStereochemistryComputational chemistryMoleculeOrganic chemistryNursingMedicineCrystallography and molecular interactionsNonlinear Optical Materials ResearchComputational Drug Discovery Methods