Effect of ethanol on Munc13-1 C1 in membrane: A Molecular Dynamics Simulation Study.

CONCLUSIONS: Ethanol forms hydrogen bonds with Glu-582. While occupancy of the ethanol molecules at the vicinity (4Å) of Glu-582 is 34.4 %, the occupancy in the E582A mutant is 26.5 % of the simulation time. In addition, the amount of PS in the membrane influences the conformational stability of the C1 domain and interactions in the ternary complex. This study is important in providing the structural basis of ethanol's effects on synaptic plasticity. PMID: 32424866 [PubMed - as supplied by publisher]
Source: Alcoholism, Clinical and Experimental Research - Category: Addiction Authors: Tags: Alcohol Clin Exp Res Source Type: research