Abstract
Osteosarcoma is a very aggressive malignancy mostly of the long bones, including the arms and legs, and is most common in children and young adults. Defined by the uncontrolled proliferation of immature bone cells, this malignancy can lead to discomfort, edema, and the spread of cancer to distant sites. The objective of this work is to analyze the bioactive constituents of Millettia pinnata by computational and in vitro methods in order to uncover possible treatments for osteosarcoma. Molecular docking was used to identify bioactive compounds from M. pinnata leaf extract. These compounds were then subjected to in vitro investigations, which included testing for DPPH antioxidant activity, screening for phytochemicals, FTIR analysis, and GCMS analysis for chemical characterisation. Analysis of chemical interactions with osteosarcoma-associated proteins was conducted using Autodock, while the pharmacokinetics of the drugs were assessed using ADMET profiles. The computational analysis identified two bioactive compounds that have a strong propensity for binding to proteins associated with osteosarcoma, indicating their potential as therapeutic agents. In vitro assays confirmed antioxidant activity, while FTIR and GCMS analyses highlighted the extract’s diverse phytochemical composition. The findings underscore the promising potential of M. pinnata leaf extract in combating osteosarcoma, supported by molecular docking predictions. This study highlights the importance of integrating computational and biological techniques in drug discovery, demonstrating M. pinnata as a valuable source of novel therapeutic agents.
Keywords: Bioactive Compounds, Millettia pinnata, Molecular Docking, Osteosarcoma, Phytochemical Analysis.