Table 1 Candidate target proteins in acanthocephalans and known drugs predicted to bind to them
Protein identifier | PFAM motif | Subcellular localization | Ligand (Drugs-lib in MTiOpenScreen [78]) | Binding energy (kcal/mol) |
|---|---|---|---|---|
1609# | glycosyl transferase | Golgi apparatus, membrane | Pranazepide (Derquantel) | −10.9 |
4617 | troponin | nucleus, soluble | Derquantel | −9.0 |
5995# | amine lyase | cytoplasm, soluble | Tadalafil | −9.0 |
7137# | protein kinase | nucleus, soluble | Casopitant | −10.8 |
8627 | unknown function | cell membrane, membrane | Afacifenacin | −11.4 |
8750# | PIP5K | cytoplasm, soluble | Piketoprofen | −9.9 |
8763# | NAD binding | peroxisome, soluble | Bemcentinib | −11.8 |
9169# | phosphatidic acid phosphatase | cell membrane, membrane | Tadalafil | −9.2 |
9190# | dopamine beta-monooxygenase | cell membrane, membrane | Fluazuron | −12.9 |
9257 | RNA recognition motif | nucleus, soluble | Heliomycin | −9.1 |
9684# | – | cytoplasm, soluble | Etoposide | −9.4 |