Scientific Reports · 10 authors, 6 centres
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This computational study identified several compounds from the fungus Cladosporium spp. that may inhibit the CviR protein, a key regulator of quorum sensing in the pathogenic bacterium Chromobacterium violaceum. Molecular docking and simulations suggested these compounds could be potential anti-virulence agents.
Docking analysis identified several compounds, such as Coniochaetone A and Viriditoxin SC-30532, with lower binding energy. A 160 ns MD simulation suggested improved stability and flexibility for complexes with top-ranked compounds. The study is limited by its exclusively in silico nature; the authors explicitly state that further in vitro and in vivo studies are required to establish clinical potential.
