Title : Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics.

Pub. Date : 2012 Jun

PMID : 22116611






2 Functional Relationships(s)
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1 In addition, homology modeling, molecular dynamic (MD) simulation, and molecular docking also showed that amino acids located within loops A, C, D and E play key roles in the interaction of Dm-/Md-nAChR with NNs. dm nicotinic Acetylcholine Receptor beta1 Drosophila melanogaster
2 The results obtained lead to a better understanding not only of interactions between these antagonists and Dm-/Md-nAChR, but also of the essential features that should be considered when designing novel inhibitors with desired activities. dm nicotinic Acetylcholine Receptor beta1 Drosophila melanogaster