CHEMOINFORMATICS-AN EMERGING FIELD FOR COMPUTER AIDED DRUG DESIGN

Saurabh Shukla1, Sanjay Kumar Choubey2, Prashant Srivastava3, Gomase V.S.4
1Yeshwant College of Information Technology (Bioinformatics & Biotechnology), Parbhani, MS
2Yeshwant College of Information Technology (Bioinformatics & Biotechnology), Parbhani, MS
3Yeshwant College of Information Technology (Bioinformatics & Biotechnology), Parbhani, MS
4School of Technology, S.R.T.M. University, Sub-Centre, Latur, 413512, India

Received : -     Accepted : -     Published : 15-06-2010
Volume : 1     Issue : 1       Pages : 10 - 14
J Biotechnol Lett 1.1 (2010):10-14
DOI : http://dx.doi.org/10.9735/0976-7045.1.1.10-14

Conflict of Interest : None declared

Cite - MLA : Saurabh Shukla, et al "CHEMOINFORMATICS-AN EMERGING FIELD FOR COMPUTER AIDED DRUG DESIGN." Journal of Biotechnology Letters 1.1 (2010):10-14. http://dx.doi.org/10.9735/0976-7045.1.1.10-14

Cite - APA : Saurabh Shukla, Sanjay Kumar Choubey, Prashant Srivastava, Gomase V.S. (2010). CHEMOINFORMATICS-AN EMERGING FIELD FOR COMPUTER AIDED DRUG DESIGN. Journal of Biotechnology Letters, 1 (1), 10-14. http://dx.doi.org/10.9735/0976-7045.1.1.10-14

Cite - Chicago : Saurabh Shukla, Sanjay Kumar Choubey, Prashant Srivastava, and Gomase V.S. "CHEMOINFORMATICS-AN EMERGING FIELD FOR COMPUTER AIDED DRUG DESIGN." Journal of Biotechnology Letters 1, no. 1 (2010):10-14. http://dx.doi.org/10.9735/0976-7045.1.1.10-14

Copyright : © 2010, Saurabh Shukla, et al, Published by Bioinfo Publications. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution and reproduction in any medium, provided the original author and source are credited.

Abstract

In the last decade, thousands of drug molecules are newly developed. So, its very important to manage these useful chemical data with the help of Chemical Databases. Thus, there is an emergence of novel field named as “Chemoinformatics”. One can easily solve the chemical based problems with the help of Informatics approaches. The use of information technology and organic chemistry playing an extremely crucial role in the drug discovery process. Thus, Chemoinformatics is a generic term that encompasses the design, creation, organization, management, retrieval, analysis, dissemination, visualization, use of chemistry based information and gives the promising results in the ADME properties prediction and in the Medicinal Chemistry.

References

[1] J. Gasteiger, Editor, (2003).Handbook of Chemoinformatics – From Data to Knowledge, Wiley- VCH, Weinheim  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[2] R.V. Williams, M.E. Bowden, Chronology of Chemical Information Science  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[3] R.T. Bottle, J.F.B. Rowland, Information Sources in Chemistry, 4th edition.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[4] R.E. Maizell, How to find Chemical Information, 3rd edition, Wiley, New York.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[5] Oprea, T. I.; Davis, A. M.; Teague, 2001 S. J.; Leeson, P. D. A historical perspective. J. Chem. Inf. Comput. Sci., 41, 1308-1315.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[6] Teague, S. J.; Davis, A. M.; Leeson, 1999 P. D.; Oprea, T. The Design of Leadlike Combinatorial Libraries. Angew. Chem., Int. Ed., 38, 3743-3748.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[7] Fejzo, J.; Lepre, C. A.; Peng, J. W.; Bemis, 1999 G. W.; Ajay; Murcko, M. A.; Moore, J. M. The SHAPES strategy: an NMR-based approach for lead generation in drug discovery. Chem. Biol., 6, 755-769.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[8] Borman, S. (1990) New QSAR . Chem. Eng. News, 68: 20-23.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[9] Chemoinformatics – A Textbook, J. Gasteiger, (2003). T. Engel, Editors, Wiley-VCH, Weinheim  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[10] Campbell, S. F. Science, . 2000, 99. art and drug discovery: a personal perpsective. Clin. Sci.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus  

[11] K. Funatsu, S. Sasaki, (1999)Tetrahedron: Comput. Methodol., 1988, 127-137. K Satoh, K. Funatsu, J. Chem. Inf. Comput. Sci., 39, 316-325.  
» CrossRef   » Google Scholar   » PubMed   » DOAJ   » CAS   » Scopus