کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1365131 | 981552 | 2007 | 8 صفحه PDF | دانلود رایگان |

This paper describes the pharmacological evaluation pertaining to antinociceptive (hot plate and tail flick) and antiinflammatory (based on Carrageenan-induced paw oedema) activities, and QSAR studies on 2-substituted-4,5-diphenyl-1H-imidazoles. Compounds with phenyl substitution with –F, –Cl, –NH2, –N(CH3)2, –OH and –OCH3 at the p-position showed higher activity than the other substitutions in all the three studies. QSARs developed for the 60 and 120 s hot plate data indicate that the models for both the cases not only fit the data very well (R2 > 0.9, Radj2>0.86), but also have very good predictive capability (q2 > 0.81). The descriptors used in the model relate to surface area, volume, dipole moment and ADME properties of the molecule. Good QSARs for the 60 and 120 s tail flick data are developed. The models fit the data well (R2 > 0.8, Radj2>0.74), and in addition have good predictive capability (q2 > 0.66). Surface area, specifically polar surface area, HOMO and molecular connectivity index appear in the models. Very good QSAR model is developed for the antiinflammatory data (R2 = 0.86, Radj2=0.822 and q2 = 0.64) with aqueous solubility, number of hydrogen bond donor groups, surface area and principal moment of inertia as the molecular descriptors.
Parity plot of hot plate data (experiments carried out at 120 s).Figure optionsDownload as PowerPoint slide
Journal: Bioorganic & Medicinal Chemistry - Volume 15, Issue 2, 15 January 2007, Pages 1083–1090