Dihydropteroate synthase (DHPS) is the target of the sulfonamide class of antibiotics and
has been a validated antibacterial drug target for nearly 70 years. The sulfonamides target …

Dihydropteroate synthase (DHPS) is a key enzyme in bacterial folate synthesis and the
target of the sulfonamide class of antibacterials. Resistance and toxicities associated with …

Leprosy (causative, Mycobacterium leprae) continues to be the persisting public health
problem with stable incidence rates, owing to the emergence of dapsone resistance that …

The performance of the site-features docking algorithm LibDock has been evaluated across
eight GlaxoSmithKline targets as a follow-up to a broad validation study of docking and …

Tuberculosis (TB) is one of the emerging infectious diseases in the world. DprE1 (
Decaprenylphosphoryl-β-d-ribose 2′-epimerase), an enzyme accountable for …

Glide SP mode enrichment results for two preparations of the DUD dataset and native ligand
docking RMSDs for two preparations of the Astex dataset are presented. Following a best …

Dihydropterate synthase (DHPS) is the target for the sulfonamide class of antibiotics, but
increasing resistance has encouraged the development of new therapeutic agents against …

Automated docking strategies successfully applied to binding mode predictions of ligands in
Cyt P450 crystal structures in an earlier study (de Graaf et al. J. Med. Chem. 2005, 7, 2308 …

Background In a structure-based virtual screening, the choice of the docking program is
essential for the success of a hit identification. Benchmarks are meant to help in guiding this …

Results of a previous docking study are reanalyzed and extended to include results from the
docking program FRED and a detailed statistical analysis of both structure reproduction and …