QSAR in Drug Design: Antituberculotics

Part IX in the series of reviews “Compounds with antituberculous activity”

Karel Waisser (waisser@faf.cuni.cz),

Department of Inorganic and Organic Chemistry, Faculty of Pharmacy, Charles University, Hradec Králové

Summary

Quantitative structure—activity studies of potential antituberculotics have been reviewed. The potential antituberculotics under QSAR study can been divided into several groups. In some cases the correlation with electronic parameters are described (Table 1). In the second group, activity increases with a growth in hydrophobicity (Table 4). In the third group, the relationships between activity and hydrophobicity are parabolic (Table 2). In the fourth group, there are no correlations between activity and hydrophobicity of whole molecules, nevertheless in some cases the activity correlates with the local hydrophobic parameters (Table 3). This should be taken to imply that there are no general values of “ideal hydrophobicity” for antituberculous action in vitro. The paper about “ideal hydrophobicity” of gram-negative and gram-positive bacteries has to be revised.