Crystal structure, spectroscopic analysis, electronic properties and molecular docking study of costunolide for inhibitor capacity against Onchocerca volvulus main protease
Bel Youssouf G. Mountessou, Alexis Sylvain W. Mbobda, Hans‐Georg Stammler, Eric O. Akintemi, Maraf Mbah Bake, Gervais Mouthé Happi, Siméon F. Kouam, Bruno Ndjakou Lenta, Norbert Sewald, Thishana Singh, Ibrahim Mbouombouo Ndassa
Topics & Concepts
ChemistryNatural bond orbitalHyperpolarizabilityBasis setComputational chemistryChemical shiftHOMO/LUMOMolecular orbitalCrystallographyDensity functional theoryStereochemistryMoleculePhysical chemistryOrganic chemistryPolarizabilityBioactive Compounds and Antitumor AgentsOrganic Chemistry Cycloaddition ReactionsNonlinear Optical Materials Research