In silico quantitative structure pharmacokinetic relationship modeling on cardiovascular drugs: Half-life
Chouhan Jagtar Singh, Jat Rakesh Kumar and Paul Yash
An estimate of Half-life (t1/2) is a very vital pharmacokinetic parameter to assess safety and efficacy of any drug molecule, which helps to treat serious cardiovascular diseases i.e., hypertension, arrythmias. This study was conducted to develop Quantitative Structure Pharmacokinetic Relationship (QSPkR) for the prediction of t1/2 in men for congeneric series of twenty two cardiovascular derivatives, using computer assisted Hansch approach. The QSPkR correlations were duly analyzed using a battery of apt statistical procedures and validated using leave-one-out (LOO) approach. Analysis of several hundreds of QSPkR correlations developed in this study revealed high degree of cross-validated coefficients (Q2) using LOO method (p<0.001). The overall predictability was found to be high half-life (t1/2) (R2=0.9352 F=15.88 S2=5.29 Q2=0.7932 p<0.001). Half-life (t1/2) in the present QSPkR investigations was found to depend upon electrostatic and topological etc. Half-life (t1/2) does not seem to have any dependence on lipophilic and electronic parameters indicating that the hydrophobic and ionic bonding of Cardiovascular drugs is negligible.
How to cite this article:
Chouhan Jagtar Singh, Jat Rakesh Kumar, Paul Yash. In silico quantitative structure pharmacokinetic relationship modeling on cardiovascular drugs: Half-life. Pharma Innovation 2017;6(5):140-143.