Molecular Characterization of Avermectin that Bind to Rdl β5 GABA Receptors of House Fly

Abstract:

The interaction between Rdlβ5 GABA receptors of house fly before and after mutation and AVM was considered as the reason that AVM cause the insect death and investigated with Sybylx1.1 software. The docking results showed that the hydrogen bond and hydrophobic interaction played an important role among the complexes of Rdlβ5 GABA receptor and avermectin. Hydrogen bond of 2.217 Å formed between B/Ser58 of GABA receptor and atom O42 of avermectin before mutation, 1.953 Å hydrogen bond formed between A/Gln6 of GABA receptor and hydroxyl (C₇) of avermectin after mutation. In addition, our results indicated that the binding free energy (ΔE) of AVM and GABA receptors increased 3.59 kcal mol⁻¹ after mutation, which was consistent with the experimental phenomenon of the insecticidal resistance to AVM.

• Periodical: Advanced Materials Research (Volume 699)
• Pages: 753-758
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.699.753
• Online since: May 2013
• Authors: Ming Hao, Qiang Wang, Qing Qing Ma, Jin Long Zhao, Wan Guo Hou, Li Hua Chen
• Keywords: AVM_S, GABA Receptor, Homology Modeling, Interaction, Surflex Docking

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