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Databases for Health related issues: The HIV Database
 
Objective:
Provide significant advances in the annotation and dissemination of AIDS related structural and ligand data for AIDS research with particular emphasis to industrial (drug discovery) interests.
 
Description:

As the war against AIDS enters its third decade, pharmaceutical companies are continuing to develop new drugs aimed at thwarting this disease. Having the structural data at hand, and in a properly organized manner and fully searchable, is an essential tools for modern drug discovery and development. For this reason, there is a growing need for advanced bioinformatics tools and standardized structural protein data entry methods that enable researchers involved in drug discovery to use this structural data in order to design tomorrow's drugs. This open access (Human Immunodeficiency Virus) HIV structural database receives, annotates, archives, and distributes standardized 2-D and 3-D structural data for AIDS related protein molecules and their complexes with drugs. The data come from both the published literature and from direct contributions by industrial and other laboratories.

 
Area(s) of Application:
  • Health and Medical Products and Services - Another approach for AIDS treatment is by the use of drugs that selectively inhibit specific molecules such as the HIV protease. For this reason a concerted effort of many laboratories has gone into the elucidation of enzyme/inhibitor interaction of this and other enzymes, and many efforts have focused on developing strategies for disrupting critical macromolecular interactions required for the viral life cycle. Thus, there is a critical need for structural information on these systems as long as drugs development for the treatment of AIDS is a work in progress. Support and infrastructure for such activities is all the more important at this time.
 
Accomplishments:
  • The new NIST Standard Reference Database (HIV SRD 101) for AIDS research is now available. http://xpdb.nist.gov/hivsdb/hivsdb.html The database incorporates state-of-the-art annotation tools and techniques developed at NIST specifically to manage the information and its interoperability. This database contains the world's largest and most comprehensive collection of structural data for AIDS research. The database is being and can be updated very rapidly – an important feature in a rapidly moving area. The database is fully relational – it can be searched easily and completely in a very wide variety of ways to best serve the needs of the user. As such, this collection of annotated 3-D structures of HIV protease complexes with drugs is a major resource for the drug discovery community, the pharmaceutical industry, and the general bioscience community. Since the public release of the HIV SRD 101 by NIST on July 16, 2004, it has logged over 4.2 million hits - making it one of NIST's most successful data products. Also, the gap between 2-D and 3-D structural data has been bridged. This further enhances the value of HIV SRD 101. This is important because solving 3-D structures is a cost prohibitive process. Because of this economic hurdle, only a small number of the existing 2-D structures of HIV inhibitor chemical compounds have been determined in a 3-D format. As a result, the research and drug development community requires a data resource that would efficiently and accurately map 2-D and 3-D structural information.
 
Future Plans:
  • The NIST HIVSDB provides a crucial platform for AIDS research efforts directed towards the development of new drugs and treatments. This effort also entailed the expansion of the data content, the enhancement of the quality and uniformity of the data itself, the development of unique navigation and structural analysis tools, and the offering of comprehensive downloadable data from the resource. Efforts are currently underway to use this opportunity to establish collaboration between NIST and NIAID in the area of data and informatics for AIDS.

 
Recent publications:
  • M. D. Prasanna, J. Vondrasek, A. Wlodawer, T. N. Bhat, “ Application of INChI to curate, index and query 3-D structures” 2004, Proteins: Structure, Function, and Bioinformatics 2005, 60, 1-4.
 
External Collaborators:
 
Principal Investigator: Talapady N. Bhat
 

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Page created: 8 July 2005