Database for Drugs

The LODs of the different methods and instruments are difficult to summarize due to the variability of the preconcentration techniques. Several examples were given in Section 14.4. Generally, detection limits of nanograms can be obtained from most systems however, oversensitive systems could lead to many false-positive responses, especially if one considers that many banknotes may contain micrograms of illicit drugs. 

Relative Intensity (in arbitrary units) of 1 ng Controlled Substances and Excipients and tbe Exact Reduced Mobility Value 

Source Dussy et al., Validation of an ion mobility spectrometry (IMS) method for the detection of heroin and cocaine on incriminated material, Forens. Sci. Int. 2008, 177, 105-111. 

Karasek, F.W. HiU, H.H., Jr. Kim, S.H., Plasma chromatography of heroin and cocaine with mass-identified mobility spectra, J. Chromatogr. 1976, 117, 327-336. 

Ithakissios, D.S., Plasmagram spectra of some barbiturates, J. Chromatogr. Sci. 1980, 18, 88-92. 

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Yan, Q. and W. Sadee. Human membrane transporter database a Web-accessible relational database for drug transport studies and pharma-cogenomics. AAPS PharmSci. 2000, 2, E20. 

FDAMA requires that FDA establish a clinical trials database for drugs used to treat serious and life-threatening diseases, other than AIDS and cancers (data bases for these diseases already established). 

Lam, R. L. H. (2001) Design and analysis of large chemical databases for drug discovery, Ph.D. Dissertation, University of Waterloo. 

Prous Science provides a database for drug discovery and development encompassing all the areas in drug discovery, including metabolism. Integrity enables researchers to combine chemistry and genomics data with pharmacodynamics and pharmacokinetics databases. All the data are cumulated through available public records, literature, conferences, and patents. This database is a very useful system to acquire public information (290). 

R. Gill, A. C. Moffat, R. M. Smith, and T. G. Hurdley, A collaborative study to investigate the retention reproducibility of barbiturates in HPLC with a view to establishing databases for drug identification, 7. Chromatogr. Sci. 24 (1986), 153-159. 

Representing Chemical Structures in Databases for Drug Design... 

Enzyme-Reaction Database. We have built a database called the Enzyme-Reaction database for drug design based on amino acid sequence (Nishioka and Oda, unpublished). This database contains the following Items for each enzyme enzyme name Including common names, EC-number and reaction type classified by TUB, names of substrates, cofactors, inhibitors, and products, and entry codes in the NBRF sequence database and the Brookhaven Protein Databank. 

Schreyer, A. and Blundell, T. 2009. CREDO A protein-ligand interaction database for drug discovery. Chem. Biol. Drug Des. 73 157-167. 

Gaulton, A.. Beilis. L.J.. Bento. A.P.. Chambers,)., Davies, M., Hersey, A., Light, Y., McGlinchey, S., Michalovich, D., Al-Lazikani, B., and Overington, J.P. (2011) ChEMBL a large-scale bioactivity database for drug discovery. Nucleic Acids Research, 40, 1-8. 

Schreyer AM, Blimdell TL (2013) CREDO a structural interactomics database for drug discovery. Database (Oxford) 2013 bat049... 

Chen CY-C (2011) TCM database Taiwan the world s largest traditional Chinese medicine database for drug sereening in silico. PLoS One 6 el5939... 

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