KiDoQ: using docking based energy scores to develop ligand based model for predicting antibacterials.

ABSTRACT:

Background

Identification of novel drug targets and their inhibitors is a major challenge in the field of drug designing and development. Diaminopimelic acid (DAP) pathway is a unique lysine biosynthetic pathway present in bacteria, however absent in mammals. This pathway is vital for bacteria due to its critical role in cell wall biosynthesis. One of the essential enzymes of this pathway is dihydrodipicolinate synthase (DHDPS), considered to be crucial for the bacterial survival. In view of its importance, the development and prediction of potent inhibitors against DHDPS may be valuable to design effective drugs against bacteria, in general.

Results

This paper describes a methodology for predicting novel/potent inhibitors against DHDPS. Here, quantitative structure activity

SUBMITTER: Garg A 

PROVIDER: S-EPMC2841597 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature