In silico molecular docking study of plant-based compounds from medicinal plant Lantana camara L. against Aedes aegypti L. protein

Abstract

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, 2-dimethyl and Gamolenic from L. camara against Ae. Aegypti.