Computational-based investigation of antioxidative potential polyphenolic compounds of Salvia officinalis L.: combined DFT and molecular docking approaches
Ridha Bendaas, Yahia Bekkar, L. Messaadia, Lotfi Bourougaa, Abdelatif Messaoudi, S. Kiamouche, Benamira Messaoud
Topics & Concepts
ChemistryLuteolinPolyphenolComputational chemistryQuantitative structure–activity relationshipDensity functional theoryStereochemistryAntioxidantMoleculePolarizable continuum modelOrganic chemistryFlavonoidSolvationFree Radicals and AntioxidantsPhytochemicals and Antioxidant ActivitiesComputational Drug Discovery Methods