Topological studies on benzodiazepine receptor binding

Department of Chemistry, A. P. S. University, Rewa-486 003, India

Research Division, Luxmi Pest and Fumigation Pvt. Ltd., 3 Khatipura, Indore-452 007, India

Department of Chemistry, Allahabad University, Allahabad-211 002, India

Manuscript received 30 December 1998, revised 8 October 1999, accepted 11 November 1999

Molecular negentropy (N) and first order valence connectivity ¹\(\chi\)^v indices have been used for modeling nonbenzodiazepine series of benzodiazepine receptor ligands. The study reveals that these topological indices (N, ¹\(\chi\)^v) work well only by coup­ling them with some molecular descriptors and by the introduction of indicator parameters. Regression analyses have indi­cated that excellent results are obtained when N,¹\(\chi\)^v, \(\pi\)R₁, \(\pi\)R₃, and RX₃ are used as correlating parameters.