Exploring the larvicidal potential and phytochemical composition of Solanum incanum extracts: Insights from molecular docking and GC–MS analysis

Abstract

Despite continuous efforts to control mosquito populations and disease vectors, they remain prevalent globally and pose significant health risks. Botanicals have garnered increasing attention as alternatives to synthetic insecticides due to their broad-spectrum insecticidal properties, biodegradability, and environmental compatibility. This study aimed to evaluate the larvicidal efficacy of Solanum incanum Soxhlet extracts using various solvents. Additionally, we conducted a phytochemical analysis of the methanol extracts using gas chromatography–mass spectrometry (GC–MS) and performed molecular docking studies. The methanol extract of S. incanum demonstrated significant larvicidal activity, with LC₅₀ values of 266.75, 214.52, and 90.15 μg/mL at 24, 48, and 72 hours post-treatment, respectively. GC–MS analysis identified several compounds in the methanol extract, with trans-9-Octadecenoic acid, pentyl ester (17.99%) and propanoic acid, 2-(3-acetoxy-4,4,14-trimethylandrost-8-en-17-yl) (14.42%) being the most abundant. The methanol extract exhibited the highest phenolic content, with 1.44 mg GAE/g. The IC50 values for the DPPH assay were 1.69 mg/mL for the ethyl acetate extract and 6.7 mg/mL for the methanol extract. Furthermore, molecular docking supported the findings, with propanoic acid, 2-(3-acetoxy-4,4,14-trimethylandrost-8-en-17-yl) emerging as the top compound for all targets tested, including AChE (−9.4 kcal/mol), GABA-T (−8 kcal/mol), and ATPase (−7.9 kcal/mol). These results provide valuable insights into the potential application and development of bioinsecticides.