K<Emphasis Type="Italic">i</Emphasis> DoQ: using docking based energy scores to develop ligand based model for predicting antibacterials |
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Authors: | Aarti Garg Rupinder Tewari Gajendra PS Raghava |
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Institution: | (1) Bioinformatics Centre, Institute of Microbial Technology, Sector-39A Chandigarh, India;(2) Department of Biotechnology, Panjab University, Chandigarh, India |
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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. |
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Keywords: | |
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