IN-SILICO PROTEIN LIGAND INTERACTION STUDY OF TYPICAL ANTIPSYCHOTIC DRUGS AGAINST DOPAMINERGIC D2 RECEPTOR
Pratap Kumar Parida, Rns Yadav, Brajesh Shankar, Dipankar Chakraborty, Nisha Kumari Singh · 2013
Objective: Psychotropic drugs or antipsychotics are those which exert primary effect on psyche and are used to treat psychosis.Among these, typical antipsychotics are found to show potent D2 receptor blocking activity.Present study deals with interaction of D2 receptor protein (2HLB) with some typical antipsychotics (ligands). Methods: The nature of interaction between D2 receptor and the typical antipsychotics (under study) was investigated by molecular modelling using docking protocol. Results: The docking results emphasizing on the hydrogen bonds between the receptor and the ligands ( drugs under study) along with their different binding energies were analysed.The binding energies were found to be within the range of -6.55 to -8.56 Kcal/mol with reference drugs according to Table 1. Conclusion: The least binding energy was found to be -8.56 Kcal/mol corresponding to the drug Prochlorperazine which establishes its maximum potency amongst the drugs under study.