The CoMFA study on nitrofuranylamides as novel antituberculosis agents

One CoMFA(comparative molecular field analysis)model of the nitrofuranylamides was established using the advanced 3D-QSAR method in order to give a theortical basis to design new drug.The crossvalidated coefficient q2 of one model reached 0.655,the non-crossvalidated coefficient r2 was 0.915,the standard deviation was 0.472 and F was 57.183.The CoMFA models of nitrofuranylamides reveal the relationship between bioactivity and structure,and are helpful to further design new drugs with high bioactivity.