Biological and in silico investigation of isolated novel bioactive compound from Conocarpus lancifolius

[Display omitted] The plant Conocarpus lancifolius from Combertaceae family, has been documented to have strong medicinal potential. The objective of this research was to determine antioxidant, anti-inflammatory, and cytotoxic potential of C. lancifolius by in vitro, in vivo as well as computational studies. A forecast was made that a novel compound “lancifolian” can significantly improve inflammation, radical scavenging ability as well as cytotoxicity. For antioxidant study ABTS, DPPH, FRAP and β-carotene bleaching assays were performed. Anti-inflammatory activity was determined by carrageenan induced paw edema. Cytotoxic effects against four cancer cell lines: MCF-7, A549, COR-L23 and MDA-MB-231, were observed. Molecular docking was also performed to predict anti-inflammatory and cytotoxic properties by observing the binding affinity of lancifolian with respective receptors and validation of molecular docking was performed. Dichloromethane (DCM) and methanolic extract of C. lancifolius show strong radical scavenging ability. Different extracts showed a significant reduction in inflammation in the paw edema method. C. lancifolius extract and lancifolian showed significant cytotoxic effects against four cancer cell lines: MCF-7, A549, COR-L23 and MDA-MB-231. Subsequently, molecular docking highlighted the strong binding affinity of lancifolian with respective receptors.