A simple approach discriminating cardio-safe drugs from toxic ones.

ABSTRACT: More than 130 FDA-approved drugs have been identified for now to prolong the QT interval and possibly lead to sudden cardiac death. Due to their toxic effect, some of these drugs have been withdrawn from the pharmaceutical market. In this study, we have formulated few rules to assess the ability to prolong QT interval and thereby discriminate between cardiotoxic and -safe drugs. These rules have clearly determined that cardio-toxic drugs are more likely to obey Lipinski rule of 5 and Oprea lead-like rule. Moreover, the cardio-toxic drugs have been found to have in common values of -0.5 to 6.5 log P, 1-5 nitrogen atoms, up to 4 oxygen atoms, 5-27 hydrophobic atoms, and 15-53 single bonds. Matthews Correlation Coefficient with the value of 0.6 was also attained and nearly 96% of the cardio-t

SUBMITTER: Falah M 

PROVIDER: S-EPMC2732033 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature