Hit rates

Charifson P S, J J Corkery, M A Murcko and W P Walters 1999. Consensus Scoring A Method fc Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures int Proteins. Journal of Medicinal Chemistry 42 5100-5109. 

Charifson PS, Corkery JJ, Murcko MA, Walters,WP. Consensus scoring a method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins. J Med Chem 1999 42 5100-9. 

Indication of the potential hit rate using a standard set of compounds... 

Library designed, on the basis of preexisting information, to generate enhanced activity or hit rate against a particular biological target or target class. 

Researchers at SRMLSC recently developed a HTS that allowed the identification of potential inhibitors of the severe acute respiratory syndrome coronavirus (SARS CoV) from large compound libraries [34], The luminescent-based assay, which measured the inhibition of SARS CoV-induced cytopathic effects (CPE) in Vero E6 cells, was validated with two different diversity sets of compounds against the SARS CoV. The hit rate for both libraries was approximately 0.01%. 

The validated HTS assay was then employed to screen a 100,000-compound library against SARS CoV. The hit rate for the library in a single-dose format was determined to be approximately 0.8%. Screening of the three libraries resulted in the identification of several novel compounds that effectively inhibited the CPE of SARS CoV in vitro. Three hit compounds, shown below, were identified as promising lead candidates for further evaluation. 

Validation of Antitarget Pharmacophore Models 6.3.3.1 Virtual Screening Hit Rates and Yields... 

Table 6.3 Hit rate and yield from virtual screen of MDDR test set database using both a- A pharmacophores as selection filter [16].

Class Number of Virtual Hits Number of Identified a1A Antagonists Hit Rate" (%) Yield (%)... 

Hit rate = (number of true actives in hit list)/(number of compounds in hit list) X100. Yield = (number of true actives in hit list)/(number of true actives in full database) X100. 

Table 6.4 Hit rate, yield and enrichment factors for the top 5% scorers from virtual screen of M DDR test set database using both...

Class Number of a1A Antagonists Among Top 5% of Database Hit Rate" (%) Yieldb (%) Enrichment Factor... 

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