3D-QSAR and CoMSIA study of Cocaine analogues and WIN compounds

초록

The target compound of this study, cocaine, has been used to diagnose Parkinson diseases caused by the lackness of dopamine concentration in the brain and has been known to have thousand-fold higher binding affinity than that of dopamine transporter. Using structural and physical characteristics from the 3D-QSAR and CoMSIA computations, the search for the novel structures having a higher affinity toward dopamine transporter than known compound was carried out.