Table 5

More # of non-H, # of 2-degree cyclic atoms, degree of cyclization and # of non-H polar bonds could increase the potency of HIV Integrase Inhibitors.

Precursor

Structure

pKi


#11

pIC50: 5.82

+ 0.75%

(× 21.2)


#189

pIC50: 5.53

+ 0.74%

(× 21.2)


#188

pIC50: 4.43

+ 0.73%

(× 21.3)


Liu et al. BMC Bioinformatics 2011 12:294   doi:10.1186/1471-2105-12-294

Open Data