MOLECULAR DOCKING AND ADMET ANALYSIS OF THE BASELLA ALBA PLANT CONSTOTUENT WITH MULTIPLE PHARMACOLOGICAL ACTIVITIES
Basella alba L. is a medicinal plant rich in phytochemicals with diverse pharmacological activities, including antioxidant, anti-inflammatory, anticancer, cardioprotective, and anti-angiogenic effects. The present study aimed to evaluate the molecular interactions of ten major phytoconstituents of Basella alba against selected therapeutic target proteins using molecular docking and to assess their pharmacokinetic and toxicity profiles through ADMET analysis. The selected phytochemicals included lupeol, betulinic acid, oleanolic acid, ursolic acid, quercetin, kaempferol, ?-sitosterol, apigenin, luteolin, and stigmasterol. Docking analysis identified several compounds with favourable binding affinities toward the selected proteins, suggesting their potential therapeutic efficacy. Betulinic acid, lupeol, ?-sitosterol, stigmasterol, luteolin, and oleanolic acid exhibited the strongest interactions with different pharmacological targets. ADMET evaluation demonstrated that most compounds satisfied Lipinski's rule of five and showed acceptable pharmacokinetic characteristics with low toxicity, although a few compounds exhibited predicted hepatotoxicity or Ames positivity. Overall, the findings suggest that Basella alba contains promising bioactive compounds that may serve as potential lead molecules for the development of novel therapeutic agents. Further in vitro and in vivo studies are required to validate these computational findings