2D QSAR of arylpiperazines as 5-HT1A receptor agonists
Department of Pharmaceutical Chemistry, Prin. K. M. Kundnani College of Pharmacy, Cuffe Parade, Mumbai - 400 005, India
Urmila J Joshi Department of Pharmaceutical Chemistry, Prin. K. M. Kundnani College of Pharmacy, Cuffe Parade, Mumbai - 400 005 India E-mail: [email protected]
Of the various structurally diverse compounds known to bind 5-HT 1A receptor sites, arylpiperazine derivatives represent one of the most important classes. This article deals with the development of a QSAR equation relating the ligand binding activity of various literature reported arylpiperazines acting as agonists at the 5-HT 1A receptor to their 2D descriptors. Significant equation was generated using MOE 2004.03 and validated subsequently using leave one out and test set prediction methods. The equation revealed the importance of combination of electronic and lipophilic parameters in explaining the observed variance.