We found a match
Your institution may have rights to this item. Sign in to continue.
- Title
Three-Dimensional Quantitative Structure–Activity Relationship Studies on c-Src Inhibitors Based on Different Docking Methods.
- Authors
Bairy, Santhosh Kumar; B. V. S., Suneel Kumar; Bhalla, Joseph Uday Tej; Pramod, A. B.; Ravikumar, Muttineni
- Abstract
c-Src kinase play an important role in cell growth and differentiation and its inhibitors can be useful for the treatment of various diseases, including cancer, osteoporosis, and metastatic bone disease. Three dimensional quantitative structure–activity relationship (3D-QSAR) studies were carried out on quinazolin derivatives inhibiting c-Src kinase. Molecular field analysis (MFA) models with four different alignment techniques, namely,glide,gold,ligandfit and Least squares based methods were developed.glide based MFA model showed better results (Leave one out cross validation correlation coefficient r2cv= 0.923 and non-cross validation correlation coefficient r2 = 0.958) when compared with other models. These results help us to understand the nature of descriptors required for activity of these compounds and thereby provide guidelines to design novel and potent c-Src kinase inhibitors.
- Subjects
ENZYME inhibitors; GROWTH factors; LEAST squares; PROTEIN-tyrosine kinases; MOLECULAR rotation
- Publication
Chemical Biology & Drug Design, 2009, Vol 73, Issue 4, p416
- ISSN
1747-0277
- Publication type
Article
- DOI
10.1111/j.1747-0285.2009.00789.x