Application | Comment | Organism |
---|---|---|
drug development | Mycobacterium tuberculosis pantothenate synthetase (MTBPS) is a target for drug design in treatment of tuberculosis | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
additional information | inhibitor docking study, molecular docking of a set of pyrazole-based inhibitors to the active site of the enzyme, the docking solutions are post-processed using the MM-PB(GB)SA method and molecular dynamic simulations in order to analyze and validate the two previously proposed binding modes. Both the MM-PBSA and MM-GBSA are able to discriminate between active and inactive compounds. The pharmacophore-based scoring method proves efficient in discriminating the active compounds from inactives. Method development for screening of potential inhibitors of the enzyme from commercially available databases | Mycobacterium tuberculosis |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | P9WIL5 | - |
- |
Mycobacterium tuberculosis ATCC 25618 / H37Rv | P9WIL5 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
MTBPS | - |
Mycobacterium tuberculosis |
Pantothenate synthetase | - |
Mycobacterium tuberculosis |