In Silico ADME prediction on calcium channel blockers using QSPkR studies
Bhupinder Singh · Journal of Bioequivalence & Bioavailability · 2012
T use of in silico approaches for successful prediction of pharmacokinetic properties of compounds during new drug discovery has been increasing exponentially. These in silico models, for the prognosis of absorption, distribution, metabolism, and excretion (ADME) are invariably based upon the implementation of quantitative structure pharmacokinetic relationship (QSPkR) techniques. The primary aim of QSPkR studies is to enable drug designer to modify the chemical structure of a pharmacodynamically active drug in such a manner as to alter its pharmacokinetic properties without diminishing its pharmacodynamic potential. Once such relationship is ascertained with adequate statistical degree of confidence, it can be of valuable assistance in the prognosis of behavior of new molecules, even before these are actually synthesized.