In the present study, the ethanolic leaf extract of Lantana camara L. was analyzed for phytocomponents using GC-MS technique and in silico molecular docking studies of phytocompounds against sterol carrier protein-2 (1PZ4) of Aedes aegypti L. larvae was performed to identify the phytocompounds with larvicidal potential. Gas Chromatography-Mass Spectrometry (GC-MS) analysis of the ethanolic leaf extract of L. camara L. revealed the occurrence of 30 phytocompounds that are known to possess a variety of therapeutic properties. Subsequently, ten compounds were selected for the molecular docking studies, of which the phytocompounds Pectolinaringenin, Naphthalene, decahydro-2, 2-dimethyl and Gamolenic acid were predicted to have potential larvicidal property. To the best of our knowledge, this is the first study to predict the larvicidal activity of Pectolinaringenin, Naphthalene, decahydro-2, 2dimethyl and Gamolenic from L. camara against Ae. Aegypti.

The rise of multi-drug resistant bacteria and the extensive use of antibiotics has become a serious threat worldwide. The side effect of antibiotics swirled the researchers towards traditional medicine to find a therapeutic agent with antibacterial activity. The phytochemical compound from medicinal plants paves a way for the novel antibacterial agent.  In the present study, in silico molecular docking of phytochemical compounds identified through GC-MS analysis and in vitro antibacterial efficacy of ethanolic leaf extract of Lantana camara were evaluated. In silico docking studies of 11 Phyto-ligands were carried out against 4 motifs- 1PHO, 5I5H, 5UW2 and 6NTW of Escherichia coli to estimate the binding energy and to know the protein-ligand interaction. Amongst all the phyto-ligands studied, 4,8,13-Cyclotetradecatriene-1,3-diol,1,5,9-trimethyl-12-(1-methylethyl) showed good affinity towards 1PHO, 4a(2H)-Phenanthrenecarboxaldehyde,1,3,4,9,10,10a-hexahydro-6-methoxy-1,1-dimethyl-7-(1-methylethyl) exhibited highest affinity with 5I5H motifs of  E. coli, 4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl-12-(1-methylethyl) showed better affinity towards motif 5UW2 of  E. coli and (Z)-4-Nitro-alpha-(p-nitrophenyl)cinnamic acid showed good affinity towards 6NTW motif of  E. coli. The ethanolic leaf extract of L. camara L. showed concentration dependent activity against E. coli.