Identifying potential natural inhibitors of Brucella melitensis Methionyl-tRNA synthetase through an in-silico approach.

Adekunle Babajide RowaiyeAkwoba Joseph Ogugua Gordon C Ibeanu Doofan BurMercy Titilayo AsalaOsaretin Benjamin OgbeideEmmanuella Oshiorenimeh AbrahamHamzah Bundu Usman

Published in: PLoS neglected tropical diseases (2022)

Overall, Isopteropodin and Strophanthidin were found to be better drug candidates than OOU and they showed potentials to inhibit the Brucella melitensis Methionyl-tRNA synthetase at Pocket 1, hence abilities to treat brucellosis. In-vivo and in-vitro investigations are needed to further evaluate the efficacy and toxicity of the lead compounds.

Keyphrases

molecular docking
oxidative stress
human health
emergency department
adverse drug
drug induced
risk assessment