Exploration of binding mechanism of two potential natural alkaloids as AgrA inhibitors of quorum sensing: molecular docking, molecular dynamics simulation, ADMET and DFT analysis
Currently, targeting bacterial QS is one of the best ways to resolve the problem of bacterial resistance. In agr QS system, the LytTR domain of AgrA regulates the expression of various virulence genes. So, agr QS mediated virulence factors secretion and biofilm formation can be prevented by blocking the DNA binding Lyt...