Acta Pharm. 51 (2001) 189-199

Acta Pharm. 51 (2001) 189-199

Original scientific paper

QSAR studies on phenoxyalkyl imidazoles as potent H3-receptor histamine antagonists

VIJAY K. AGRAWAL,¹ SHAILJA SACHAN,¹ PADMAKAR V. KHADIKAR^2* and SNEHA KARMARKAR²

¹Department of Chemistry, A.P.S. University, Rewa-486 003, India
²Research Division, Laxmi Pest and Fumigation Pvt. Ltd.
³Khatipura, Indore 452 007, India

Received January 28, 2000 Accepted June 4, 2001

Studies on a series of phenoxyalkyl imidazoles is attempted topologically using the negentropy (N), molecular redundancy (MRI), first-order valence connectivity (¹X^v) and Wiener (W) indices. The regression analysis of the data employing the multiple linear analysis and cross-validation method has indicated that MRI is the most suitable index for this purpose. The use of indicator parameters has finally demonstrated the need of substitution at 4-position in the phenyl ring for exhibition of H₃-receptor antagonisms of the imidazoles used.

Keywords: H₃-receptor histamines, imidazoles, QSAR, molecular redundancy, Wiener index, first-order valence connectivity index

QSAR studies on phenoxyalkyl imidazoles as potent H3-receptor histamine antagonists

VIJAY K. AGRAWAL,1 SHAILJA SACHAN,1 PADMAKAR V. KHADIKAR2* and SNEHA KARMARKAR2

1Department of Chemistry, A.P.S. University, Rewa-486 003, India2Research Division, Laxmi Pest and Fumigation Pvt. Ltd.3Khatipura, Indore 452 007, India

VIJAY K. AGRAWAL,¹ SHAILJA SACHAN,¹ PADMAKAR V. KHADIKAR^2* and SNEHA KARMARKAR²

¹Department of Chemistry, A.P.S. University, Rewa-486 003, India
²Research Division, Laxmi Pest and Fumigation Pvt. Ltd.
³Khatipura, Indore 452 007, India