MOLECULAR DOCKING STUDY ON THE INTERACTION OF HALOPERIDOL WITH HUMAN SERUM ALBUMIN

Molecule to human serum albumin significantly affects the pharmacokinetics of the drug, it is highly desirable to predict the binding affinity of the Haloperidol drug are a widely used class of nerve agent and it has been reported. Docking simulations using multiple template structures of human serum albumin from three crystal structures of complexes between drug and human serum albumin have demonstrated Haloperidol drug located central of subdomain IIA and IIB of Human serum albumin. More investigation also revealed that these Haloperidol drug bind to the amino acids on the hydrophobic pocket of human serum albumin and not change to the secondary structure of the human serum albumin.