Servers for predicting inhibitors against bacteria
Syed Asif Husain Naqvi
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We are please to announce a server KiDoQ ( http://crdd.osdd.net/raghava/) developed by our group for predicting inhibitors against
Dihydrodipicolinate synthase (DHDPS). Enzyme DHDPS is a potential drug target found in a unique DAP/Lysine pathway of bacteria. This server allows users to design and predict inhibitors against bacteria (DHDPS). In this server docking energies are used as descriptors for developing QSAR model. For detail about server see following
reference Garg, A., Tewari, R. and Raghava, G. P. S. (2010) KiDoQ: using
docking based energy scores to develop ligand based model for predicting
antibacterials.
BMC Bioinformatics 2010, 11:125 . (http://www.biomedcentral.com/1471-2105/11/125/ )
Best of our knowledge this is first web server which allow to predict inhibitors against bacterial targets and will be useful in designing drugs against bacterial infection. In chemoinformatics or pharmacoinformatics its difficult to develop open source software/ webserver as this field is controlled by commercial houses. One the reason is that descriptor calculation programs are not available free. We hope in future more and more open source software/webservers
will be developed by community. This work is part of OSDD ( http://crdd.osdd.net/ http://www.osdd.net/) initiated by CSIR, India, to promote better health for public.
We wish to listen your comment on this type of work and your
suggestions to promote open source for drug discovery.
With Regards
.
Raghava
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# Dr G P S Raghava (FASc, FNASc), Head Bioinformatics Centre #
# Institute of Microbial Technology, Sector-39A, Chandigarh, India #
# Phone: +91-172-2690557, Fax: +91-172-2690632
Best of Luck
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Syed Asif Hussain Naqvi.