In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target.

ABSTRACT: New treatments for diseases caused by antimicrobial-resistant microorganisms can be developed by identifying unexplored therapeutic targets and by designing efficient drug screening protocols. In this study, we have screened a library of compounds to find ligands for the flavin-adenine dinucleotide synthase (FADS) -a potential target for drug design against tuberculosis and pneumonia- by implementing a new and efficient virtual screening protocol. The protocol has been developed for the in silico search of ligands of unexplored therapeutic targets, for which limited information about ligands or ligand-receptor structures is available. It implements an integrative funnel-like strategy with filtering layers that increase in computational accuracy. The protocol starts with a pharmacophore-bas

SUBMITTER: Lans I 

PROVIDER: S-EPMC7449411 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature