Sanjay Bajaj,a Surinder Singh Sambi,a
and Anil Kumar Madanb*
a School of Chemical Technology, G. G. S. Indraprastha University,
Delhi-110006, India
b Faculty of Pharmaceutical Sciences, M. D. University, Rohtak –
124001, IndiaE-mail: madan_ak@yahoo.com
Abstract
In the present study, the relationship between the Zagreb topochemical index
M1c and the corticotropin releasing factor receptor
antagonizing activity of N-phenylphenylglycine analogs has been
investigated. The values of Zagreb topochemical index M1c
of all the analogs involved in the data set were calculated using an in-house
computer program. The resulting data was analyzed and a suitable model was
developed after identification of the active range. Subsequently, a biological
activity was assigned to each of the compounds involved in the dataset which was
then compared with the reported biological activity. Accuracy of prediction was
found to be 82.3% using the said model. High predictability of the model offers
vast potential for providing lead structures for development of potent CRF
receptor antagonist.
Key words: topochemical model, Zagreb topochemical index, phenylphenylglycines, CRF receptor antagonist, topological