Molecular docking, MMGBSA, and ADMET studies of phytoconstituents of <i>Ocimum gratissimum</i> on multiple breast cancer targets
Basiru Olaitan AjiboyePhytomedicine and Molecular Toxicology Research Laboratory, Department of Biochemistry, Federal University Oye-EkitiToluwase Hezekiah FatokiBioinformatics and Enzymology Research Laboratory, Department of Biochemistry, Federal University Oye-EkitiPrecious Ayorinde AkinnusiBioinformatics and Enzymology Research Laboratory, Department of Biochemistry, Federal University Oye-EkitiOlawale Rasaq AjuwonRedox Biology Research Unit, Department of Biochemistry, Federal University Oye-EkitiBabatunji Emmanuel OyinloyeBiotechnology and Structural Biology (BSB) Group, Department of Biochemistry and Microbiology, University of ZululandTemitope Olawale JejeBiochemical Immunology and Phytomedicine Laboratory, Department of Biochemistry, Federal University Oye-EkitiOlutunmise Victoria OwolabiMedical Biochemistry Unit, College of Medicine and Health Sciences, Afe Babalola UniversityOluwatosin Olalekan OgedengbeDepartment of Anatomy, Faculty of Basic Medical Sciences, Federal University Oye-EkitiClaudia GenoveseInstitute for Agriculture and Forestry Systems in the Mediterranean
ABI
Abstract
top phytochemicals identified would be safe for oral administration with no hepatoxicity. Overall, this study identified isovitexin, vitexin, rosmarinic acid, nepetoidin A and luteolin among others, as compounds that exhibit strong anti-cancer properties against breast cancer cells.
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