Reverse search index

Barreca et al screened for non-nucleoside reverse transcriptase inhibitors of HIV-1 by searching the Derwent World Drug Index (WDI) and the Chemicals Available for Purchase (CAP) databases with a Catalyst model generated by LigandScout. A Fit value cutoff of 3.0 and Lipinski filters, followed by docking, led to the selection of three compounds, two of which were commercially available. A search for available close analogues of all three compounds finally led to the purchase of six compounds, of which five were shown to be active. 

International Protein Index database for the species studied (available online at http //www.ebi.ac. uk/IPI) and its sequence-reversed version with the Mascot (Matrix Science, Boston, MA) search algorithm. Equivalent search software (Proteome Discoverer [Thermo Fisher Scientific], Protein Prospector [http //prospector.ucsf.edu/prospector/ mshome.htm], Phenyx [GeneBio, Geneva, Switzerland], XlTandem [http //www.thegpm.org/tandem/], etc.) may also be used. 

Mascot (Matrix Science) search algorithm and the International Protein Index (available online at http //www.ebi.ac.uk/IPI), or similar database. The search against the normal database combined with the corresponding reversed or randomized database is an excellent vahdation method for MS/MS searches of large data sets. 

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