Isolation, characterization, molecular electronic structure investigation, and in-silico modeling of the anti-inflammatory potency of trihydroxystilbene
Hitler Louis, Gideon E. Mathias, Tomsmith O. Unimuke, Wilfred Emori, Ling Liu, Aniekan E. Owen, Adedapo S. Adeyinka, Tabe N. Ntui, Chun‐Ru Cheng
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryBasis setDelocalized electronComputational chemistryElectronic structureIn silicoDihedral angleMolecular orbitalHOMO/LUMOMoleculeOrganic chemistryHydrogen bondGeneBiochemistrySynthesis and biological activityComputational Drug Discovery MethodsFree Radicals and Antioxidants