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 OyinloyePhytomedicine, Biochemical Toxicology and Biotechnology Research Laboratories, Department of Biochemistry, College of Sciences, Afe Babalola UniversityTemitope 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
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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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