| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877645 | Journal of Molecular Graphics and Modelling | 2015 | 12 Pages |
Abstract
- 3D models of cockroach and honeybee α6 nAChR homo-pentamers have been built.
- Imidacloprid and thiacloprid neonicotinoids were docked in the various interfaces.
- The 3D structures of the complexes have been refined through MD simulations.
- Neonicotinoids have better affinities for cockroach than for honeybee α6 nAChRs.
- The better affinity is mainly due to multiple van der Waals interactions.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Balaji Selvam, Jérôme Graton, Adèle D. Laurent, Zakaria Alamiddine, Monique Mathé-Allainmat, Jacques Lebreton, Olivier Coqueret, Christophe Olivier, Steeve H. Thany, Jean-Yves Le Questel,