EC Number   |
Application |
Reference |
|---|
    2.5.1.15 | biotechnology |
the Bacillus anthracis DHPS pterin-binding pocket is analysed using five docking programs (FlexX, Surflex, Glide, GOLD, and DOCK) and nine scoring functions using pose selection/scoring and enrichment studies. Pose selection and scoring use the 7-amino-3-(1-carboxyethyl)-1-methyl-pyrimido (4,5-c)- pyridazine-4,5(1H; 6H)-dione (AMPPD) co-crystal structure as the source structure. RMSD calculations are used to determine how well specific docking/scoring combinations pose and score the ligand in the pterin site. Surflex with Surflex-Score and Glide with GlideScore are the best overall performers for use in virtual screening against the DHPS target, with neither combination showing statistically significant superiority over the other in enrichment studies or pose selection. Post-docking ligand relaxation and consensus scoring does not improve overall enrichment |
705059 |
| 2.5.1.15 | drug development |
cannot bypass DHPS activity during inhibition of the functional ortholog MtDHPS (folP1) as treatment of tuberculosis |
-, 692394 |
| 2.5.1.15 | drug development |
lead compound for design of antimicrobacterial inhibitors |
-, 691734 |
| 2.5.1.15 | drug development |
target in treatment of tuberculosis |
-, 692394 |
| 2.5.1.15 | drug development |
targeting approach of the dihydropteroate synthase enzyme, which serves as the site of action for the sulfonamide class of antimicrobial agents, exploring a class of transition state mimics, that can bind to the pterin, phosphate and para-amino binding sites, as trivalent inhibitors, binding modeling, overview |
721829 |
| 2.5.1.15 | medicine |
DHPS is an antimicrobial therapeutic target by chemical and genetic means |
721948 |
| 2.5.1.15 | medicine |
sulfonamide resistance in Pneumocystis jirovecii, determination of gene mutations in South African strain of Pneumocystis jirovecii, one of 53 DHPS genes sequenced contains the double mutation T55A/P57S |
662520 |
| 2.5.1.15 | medicine |
the enzyme is important in predicting the emergence of drug resistance to sulphadoxine-pyrimethamine |
759689 |
| 2.5.1.15 | molecular biology |
established coupled enzymatic assay for kinetic analyses of DHPS activity (coupled to pyrophosphate-dependent phosphofructokinase, aldolase, triosephosphate isomerase, alpha-glycerophosphate dehydrogenase) in presence or absence of activity-modulating compounds |
691070 |
