STUDY ON 3D-QSAR OF OPIOIDS PASSINGTHROUGH BLOOD BRAIN BARRIER

AIM: To construct 3DQSAR models of drugs passing through the blood brain barrier (BBB), that provide a theoretical basis for molecular drug design. METHODS AND RESULTS: Using CoMFA method a 3DQSAR model of opioids passing through BBB. The model possesses a high predictability: crossvalidation r²_cv of 0.718, conventional r² of 0.978, F=67.902, and SE(standard error)=0.209. CONCLUSION: Based on the contour map of the CoMFA model the structurepermeability relationship of the opioids passing through BBB is well documented.