Virtual screening for potential inhibitors of homology modeled Leptospira interrogans MurD ligase.

ABSTRACT: The life-threatening infections caused by Leptospira serovars remain a global challenge since long time. Prevention of infection by controlling environmental factors being difficult to practice in developing countries, there is a need for designing potent anti-leptospirosis drugs. ATP-dependent MurD involved in biosynthesis of peptidoglycan was identified as common drug target among pathogenic Leptospira serovars through subtractive genomic approach. Peptidoglycan biosynthesis pathway being unique to bacteria and absent in host represents promising target for antimicrobial drug discovery. Thus, MurD 3D models were generated using crystal structures of 1EEH and 2JFF as templates in Modeller9v7. Structural refinement and energy minimization of the model was carried out in Maestro 9.0 applyin

SUBMITTER: Umamaheswari A 

PROVIDER: S-EPMC2957891 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature