Principles of QSAR

Last three decades enormous work has been carried out on computational chemistry. The projects given for discovery of New Chemical Entities by these methods and gets a safe, potent drug molecule. However, the commercial output for the pharmaceutical company with these methodologies is negligible. Most of the drugs discovered in medicinal chemistry are accidentally. Thus synthesis of focused compound libraries and their pharmacological screening by efficient methods becomes powerful tool for drug discovery. But some additional points are required to move towards aryloxypropanolamines As 1-Aryloxy-3-(N4-substituted piperazinyl) propan-2 OLS (aryloxypropanolamines) shows β-adrenergic receptor antagonist activity (β-blockers), these chemical entities are applicable in management of various diseases due to their therapeutic effects. The main clinical indications of β-blockers are in the area of cardiovascular diseases, such as hypertension, angina pectoris, myocardial infarction and cardiac arrhythmias1-4. However, some β-blockers readily access the brain because of their lipophilicity and can influence some central nervous system functions. Therefore, Propranolol has been used for the treatment of anxiety syndromes, prophylaxis of migraine headaches, schizophrenia, alcohol withdrawals and tremors5-8. Looking at the biological profile of various aryloxypropanolamines (also Enciprazine) molecule, synthesis of various derivatives of Enciprazine having different aryloxy moiety and amine moiety (by taking different N- alkyl/aryl substituted piperazine) was planned to get safe, potent or new activity molecules.