VIRTUAL SCREENING AND MOLECULAR DOCKING OF PLANT-BASED ANTHELMINTIC COMPOUNDS AGAINST CATTLE NEMATODES: A SYSTEMATIC REVIEW

Abstract

Gastrointestinal nematode infections are an important constraint on cattle health, productivity,and farm profitability. The supplied literature identifies Haemonchus, Trichostrongylus, Cooperia, Oesophagostomum, Trichuris, and Strongyloides among commonly reported intestinal nematodes and emphasizes the continuing challenge of anthelmintic resistance. Repeated use of conventional synthetic anthelmintics, together with factors such as underdosing and intensive treatment practices, has contributed to declining treatment efficacy. Plant-derived phytochemicals have therefore received increasing attention as potential sources of alternative anthelmintic agents. This review synthesizes the provided literature on the burden of bovine gastrointestinal nematodes, conventional control strategies, anthelmintic resistance, the chemical diversity and mechanisms of plant bioactives, and the application of virtual screening and molecular docking in anthelmintic discovery.Particular attention is given to condensed tannins, alkaloids, terpenes, flavonoids, and saponins, as well as molecular targets including β-tubulin, nicotinic acetylcholine receptors, glutamate-gated chloride channels, glutathione S-transferase, Hsp90, and cytochrome c oxidase-related proteins. The reviewed material describes computational workflows involving target preparation, ligand-library curation, ADMET filtering, molecular docking, and, where appropriate, molecular dynamics simulation. Compounds including luteolin, ellagic acid, butein, silibinin, nigellicine, and Molport-039-195-358 are highlighted in the supplied literature as computationally promising candidates. However, docking predictions remain hypothesis-generating and require experimental validation. Overall, an integrated strategy combining phytochemical characterization, computational screening, in vitro assays, in vivo evaluation, pharmacokinetic assessment, and resistance monitoring may provide a rational pathway for identifying new plant-derived anthelmintic leads for cattle nematode control.