Figure 1. Flow diagram illustrating the steps involved in achieving hit molecules from genomic information
Whole genome sequence of Chikungunya virus is retrieved from NCBI: NC_004162.2 http://www.ncbi.nlm.nih.gov/nuccore/27754751?report=fasta
Genes are predicted which are then translated to the protein sequences using Chemgenome 3.0 http://www.scfbio-iitd.res.in/chemgenome/chemgenome3.jsp
These protein sequences are processed for 3-D structure prediction by Bhageerath-H http://www.scfbio-iitd.res.in/bhageerath/bhageerath_h.jsp
Modeled structures are studied for identification of potential active sites by active site finder AADS http://www.scfbio-iitd.res.in/dock/ActiveSite.jsp
A million compound library of small molecules is screened against the predicted binding sites using RASPD http://www.scfbio-iitd.res.in/software/drugdesign/raspd.jsp
The screened molecules are docked, scored and optimized iteratively using SANJEEVINI http://www.scfbio-iitd.res.in/sanjeevini/sanjeevini.jsp
Hits ready to be synthesized and tested in laboratory
Figure:Flow diagram illustrating the steps involved in achieving hit molecules from genomic information
