Topological modeling of benzodiazepine receptor binding.
The present study reports the QSAR modeling of benzodiazepine receptor binding affinity (pIC(50)) for a large set of 70 benzodiazepine receptor ligands. The step-wise regression analysis indicated that out of the large pool of molecular descriptors used only hydration energy (He), hydrophobic parameter (pi(3,5)), steric parameter (E(s)(2,6)) are useful for giving statistically significant models. The results are discussed critically using multivariate regression analysis and cross-validation method.
Thakur
Abhilash
A
Department of Chemistry, Bhopal institute of Technology & Science, Bhopal, India.
Thakur
Mamta
M
Khadikar
Padmakar
P
D008024:Ligands; D008958:Models, Molecular; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D011963:Receptors, GABA-A / Q000737:chemistry / Q000378:metabolism*
D008024:Ligands; D011963:Receptors, GABA-A