Literature summary for 6.3.2.9 extracted from
Umamaheswari, A.; Pradhan, D.; Hemanthkumar, M.
Virtual screening for potential inhibitors of homology modeled Leptospira interrogans MurD ligase (2010), J. Chem. Biol., 13, 175-187.
No PubMed abstract available
Crystallization (Commentary)
Crystallization (Comment) |
Organism |
generation of MurD 3D models using crystal structures of PDB entries 1EEH and 2JFF as templates in Modeller9v7 |
Leptospira interrogans |
Inhibitors
Inhibitors |
Comment |
Organism |
Structure |
additional information |
generation of MurD 3D models using crystal structures of PDB entries 1EEH and 2JFF as templates in Modeller9v7 and generation of an in-house library of 1,496 MurD inhibitor analogs. Virtual screening of the best-ranked compounds with pharmacokinetics property prediction has provided 17 MurD inhibitors for developing anti-leptospirosis drug targeting peptidoglycan biosynthesis pathway |
Leptospira interrogans |
|
Organism
Organism |
UniProt |
Comment |
Textmining |
Leptospira interrogans |
Q8F7V4 |
- |
- |