QSAR study on competition binding of rodenticides (PATs) to H(1) receptor in rat and guinea pig brain.
A quantitative structure-activity relationship (QSAR) study on binding activity for a series of rodenticides (PAT analogues) to the [(3)H]-mepyramine-labeled H(1) receptor in rat and guinea pig brain is attempted topologically. From the pool of molecular descriptors we, observed that the most significant descriptor is the molecular redundancy index (MRI). Multiple regression analysis gave excellent results with MRI upon introduction of some dummy parameters (indicator parameters). Predictive ability of the proposed models is discussed using cross-validation parameters.
Computer & QSAR Laboratoties, A.P.S. University, Rewa-486 003, India. vijay-agrawal@lycos.com
Vijay K
VK
Agrawal
Sanjay
S
Karmarkar
Padmakar V
PV
Khadikar
D000814:Aniline Compounds / Q000737:chemistry / Q000493:pharmacokinetics; D000818:Animals; D001667:Binding, Competitive; D001921:Brain / Q000378:metabolism; D006168:Guinea Pigs; D006634:Histamine H1 Antagonists / Q000737:chemistry / Q000493:pharmacokinetics; D021281:Quantitative Structure-Activity Relationship; D051381:Rats; D011969:Receptors, Histamine H1 / Q000378:metabolism*; D012044:Regression Analysis; D012378:Rodenticides / Q000737:chemistry / Q000493:pharmacokinetics*
D000814:Aniline Compounds; D006634:Histamine H1 Antagonists; D011969:Receptors, Histamine H1; D012378:Rodenticides