Computational chemistry approach for in silico screening of novel inhibitors of P. aeruginosa Multiple Virulence Factor Regulator (MvfR)

The MvfR protein drives the expression of most of Pseudomonas aeruginosa (PA) acute
virulence-associated factors including HHQ, PQS and pyocyanin (PYO). PQS, HHQ and
PYO are produced both in vitro and in vivo and provide a surrogate measurement to MvfR
inhibition.

A structure-based in silico screening approach was performed following docking studies on
M64, a compound showed to inhibit the MvfR regulon, in order to search for novel inhibitors
of MvfR protein.

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Aptuit | Computational chemistry approach for in silico screening of novel inhibitors of P. aeruginosa Multiple Virulence Factor Regulator

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