In silico and in vitro biopesticidal activity of Melia dubia (Cav.) plant leaves extract phytocompounds against selected enzymes, proteins, cell lines and Callosobruchus maculatus (Fab.)

Abstract

Most synthetic pesticides have negative impacts on both human health and the environment, which has led to a global economic and ecological emergency for insect pest control. Crude extracts of phytocompounds from Melia dubia Cav. were tested for their pesticidal effects on a certain enzyme cell line. An in silico molecular docking analysis of phytocompounds showed that the enzymes Glutathione S-Transferase (7RKA), Mytocontrial (5H3F), Acetylcholinesterase (7QAK), GABA receptor (7WGT), and DNA nucleotidylexotransferase (6GO4) interacted strongly with the phytocompounds. Compared to Dichlorvos and Malathion, the substances Guanosine (1) and Medroxyprogesterone (2) showed higher in-silico biopesticidal efficacy against Callosobruchus maculatus (Fab.). A silica gel column chromatographic technique was used to isolate Compounds 1 and 2. In vitro studies revealed that, after 96 hours, Guanosine (90.4% and LC50 value 5.63 mg/ml) caused the maximum toxicity of C. maculatus compared to the reference pesticides Dichlorvos (84.6% and LC50 value 5.94 mg/ml) and Malathion (92% and LC50 value 5.62 mg/ml). Comparing the results to the reference drugs, guanosine (1) showed potential as a pesticidal agent. Therefore, these particular compounds may provide alternative treatments that enhance the plants under investigation's historical use.