Docking assay of small molecule antivirals to p7 of HCV
Binding poses of antivirals to monomers and hexameric bundles of p7 of HCV. Guanidine based ligands bind better than derivatives of adamantanes and iminosugars. Binding of the best candidates is at the site of the loop. Hydrogen bonding and hydrophobic interactions are important.
docking antivirals p7 of hcv md simulations