Pharmacophore mapping studies on pyrazoles as anti-proliferative agents
Journal Title: Pakistan Journal of Pharmaceutical Sciences - Year 2014, Vol 27, Issue 6
Abstract
Pharmacophore mapping investigations were carried out on a dataset of 36 pyrazole derivatives that demonstrate antiproliferative activity in human ovarian adenocarcinoma A2780 cells. Pharmacophore modeling is a powerful tool for activity prediction of the ligands. Three point pharmacophore model was developed with two hydrophobic groups, one hydrogen bond acceptor, as pharmacophoric features. The pharmacophore hypothesis AHH.14 with R2 value 0.909 yields a 3D-QSAR model which is statistically significant and best pharmacophore hypothesis. External validation of AHH.14 was performed by activity prediction of test set molecules with squared predictive correlation coefficient of 0.875 was observed between experimental and predicted activity values of test set molecules. AHH.14 pharmacophore model may offer potential for the design of antiproliferative agents via development of lead structures.
Authors and Affiliations
Vandana Sharma , Vikas Sharma , Pradeep Kumar , Vipin Kumar
Keywords
Related Articles
- EP ID EP110885
- DOI -
- Views 83
- Downloads 0
Critique of medicinal conspicuousness of Parsley (Petroselinum crispum): A culinary herb of Mediterranean region
WHO estimates, around 80% of the especially developing world is indigent on complementary and alternative medicines which are prodigiously derived from herbal material. Parsley (Petroselinum crispum) is an imp...
Biological activities and chemical composition of the stems and roots of Helichrysum oligocephalum DC grown in Iran
Helichrysum has long been used medicinally, proving to be beneficial in treatment of acne, asthma, bronchitis and circulatory problems, and lymphatic system diseases. The objective of this research was to study the...
A tentative component analysis of Norjizak: A new abused drug in Iran
Norjizak is a new drug abused in the past few years in Iran with symptoms and complications distinct from other common forms of drug and characterized by higher rate of mortality. The present study aims to analyze...
Effects of marmin, a compound isolated from aegle marmelos correa, on contraction of the guinea pig-isolated trachea
Marmin or 7-(6’,7’-dihydroxygeranyl-oxy)coumarin is a compound isolated from Aegle marmelos Correa. In the study, we examined the effects of marmin on the contraction of guinea pig-isolated trachea stimulated by several...
The effectiveness of Cognitive Behavioral Therapy (CBT) with general exercises versus general exercises alone in the management of chronic low back pain
To evaluate the effectiveness of Cognitive Behavioural Therapy (CBT) along with General exercises and General exercises alone in chronic low back pain. Total 54 patients with chronic low back pain who fulfilled inc...