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"Genome to Drug" (Dhanvantari) envisages delivering a drug molecule to society from genomic / proteomic information.
It consists of mainly three stages:
(1) interpreting the language of genomic DNA and identifying a druggable protein coding gene (Chemgenome) for a disease / disorder,
(2) determining the three dimensional structure of the protein target (Bhageerath) and
(3) creating a small molecule (drug) that can bind with high affinity and specificity to the Protein/DNA target but with least toxicity to humans (Sanjeevini). Read more at (SCFBio Presentation 2024 Version).
To develop novel scientific methods and highly efficient algorithms, combining principles of Chemistry and Biology with Information Technology for Genome analysis, Protein structure prediction and target directed Lead molecule design pursuing the dream of SCFBio.[Reference]
Also the facility is committed towards creating a pool of Bioinformatics Professionals in the country through it's specialized training Programmes.[Reference]
The facility is providing free access of its Bioinformatics and Computational Biology tools to the global user community and free Supercomputing time to Students & Reseachers with-in the country.
ChemGenome: Genome Analysis Software Suite http://pubs.acs.org/doi/abs/10.1021/ci050119x DOI:10.1529/biophysj.107.116392 doi:10.1093/nar/gkw1236
Bhageerath H: A Homology ab-intio Hybrid Web server for Protein Tertiary Structure Prediction
10.1039/B502226F
https://doi.org/10.1093/nar/gkl7897
doi:10.1186/1471-2105-15-S16-S7
DOI: 10.1021/acs.biochem.7b01073
RM2TS: From Ramchandran Maps to Tertiary Structures of Proteins.DOI: 10.1021/acs.jpcb.5b02999
Sanjeevini: In-Silico Drug Design Software http://www.niscair.res.in/sciencecommunication/research-journals/rejour/ijca/ijca2k6/ijca_jan06.asp#p21 http://www.biomedcentral.com/1471-2105/13/S17/S7 doi:10.1038/nature16963 DOI:10.1111/febs.14707
CASP-12 (2016) performance
Ruchika Bhat, Rahul Kaushik, Ankita Singh, Debarati DasGupta, Abhilash Jayaraj, Anjali Soni, Ashutosh Shandilya, Vandana Shekhar, Shashank Shekhar, B. Jayaram, " A comprehensive automated computer-aided discovery pipeline from genomes to hit molecules" Chemical Engineering Science, 2020, 222 (115711).
https://doi.org/10.1016/j.ces.2020.115711
