Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS

•Trichinellosis is a serious disease in both developing and developed countries.•Crystal structures of ligand-bound and -free nematode thymidylate synthase (TS).•Molecular docking suggests ligands showing selective binding to T. spiralis TS.•This opens the possibility of future development of agents against trichinellosis.