Network Pharmacology-Mediated In-Silico Molecular Docking Analysis of Acute Leukaemia Activity of Memecylon edule Leaf Extracts on Human Monocytic THP-1 Cells

Abstract

This study explores the pharmacological potential of Memecylon edule (ME), a plant rich in        bioactive compounds through in vitro cell line studies. The anti-proliferative activity of ME extracts against human cancer monocyte cell line (THP-1) was evaluated. The extracts were further fractionated, and the compounds isolated and characterized. Additionally, network pharmacology identified seven bioactive compounds, predicting their pharmacokinetic properties and toxicity profiles. Molecular docking revealed potential targets related to Acute Myelocytic Leukemia. In vitro assays demonstrated significant cytotoxicity, apoptosis induction, and cell cycle arrest by ME extracts, with ethyl acetate extract exhibiting the highest activity. This integrated approach showcases ME as a promising candidate for further investigation in cancer therapeutics.