Mitochondrial acetate production is very much essential for the energy metabolism of the parasite Ascaris lumbricoides. Acetate formation is a pre-requisite for the fatty acid synthesis in Ascaris mitochondria. The acetate is formed from acetyl-CoA by the enzymatic activity of acetate-succinate CoA-transferase (ASCT). The enzyme ASCT is not present in their host mammals. This provides an opportunity for identifying ASCT as a new drug target to control ascariasis using in silico methods. The molecular structure of ASCT is not determined experimentally and so it is not available in RCSB Protein Data Bank. Modeller9v2 was used for homology modeling of the target protein ASCT. The phytochemicals alliin, allicin, andrographolide, decursin and the existing drugs for Ascaris infection, albendazole and mebendazole, were docked on the target protein ASCT to study the inhibitory efficiency of the ligand. Decursin showed the highest docking score followed by mebendazole. The results discussed may serve as the initiative for targeting ASCT with natural resources and anthelmintic drugs.
