| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394519 | Computational and Theoretical Chemistry | 2012 | 10 Pages |
Abstract
⺠The equilibrium bicuculline conformers have been obtained by geometry optimizations using DFT. ⺠The antagonistic behavior of bicuculline with GABA receptor have been evaluated using 6-311G(d,p) basis. ⺠The specific site of interaction of BIC with GABA receptor have been calculated. ⺠The global and local reactivity descriptors of BIC and GABA have been discussed. ⺠Condensed Fukui functions and HOMO-LUMO gap for bicuculline and GABA receptor are computed.
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Authors
Anubha Srivastava, Poonam Rawat, Poonam Tandon, R.N. Singh,