Molecular dynamics simulations of wild type and mutants of botulinum neurotoxin A complexed with synaptic vesicle protein 2C
摘要Background: Botulinum neurotoxins (BoNTs) are proteins produced by the bacteria Clostridium botulinum and they have been classified into seven serotypes (A-G).Despite their lethal toxicity, BoNTs have emerged as the valuable therapeutic tools for the treatment of a variety of medical conditions, including migraines, spastic muscle disorders and pain management.In the previous studies, the synaptic vesicle protein 2 (SV2) has been proposed to be a protein receptor for BoNT/A, but theoretical studies of the interaction between BoNT/A and SV2 are relatively sparse.
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