Screening Approach

Table 10.4-5. Recent successes of structure-based virtual screening approaches.

Solvent selection ana screening approaches can be divided into two levels of analysis. The first level focuses on identification of functional groups or chemical famihes that are hkely to give favorable solvent-key component molecular interactions. The second level of analysis identifies and compares individual-candidate solvents. The various methods of analysis are described briefly and illustrated with an example of choosing a solvent for the methanol-acetone separation. 

Column coupling proves to be a rapid screening approach in identifying chiral selectivity in the most efficient and economical way. In addition to the potential for the simultaneous analysis of a mixture, the coupling practice offers the advantages... 

O Connor, J.C., Cook, J.C., and Marty, M.S. et al. (2002). Evaluation of Tier I screening approaches for detecting endocrine-active compounds (EACs). Critical Reviews in Toxicology 32, 521-549. 

Pirard B, Brendel J, Peukert S. The discovery of Kvl.5 blockers as a case study for the application of virtual screening approaches. J Chem Inf Model 2005 45 477-85. 

Engels MFM, Venkatarangan P. Smart screening Approaches to efficient HTS. Curr Opin Drug Discov Devel 2001 4 275-83. 

Predictions of no, or low, toxicity in a general drug screening approach should be used to indicate a possible absence of toxicity in potential drug candidates. Inevitably this would require further toxicological assessment of potential drugs to ensure safety. 

The experimental results are in complete agreement with the predictions of our computational screening approach the annealed BiPt sample shows enhanced HER activity compared with pure Pt. As mentioned above, this result is rather counterintuitive, given that Bi itself is a notoriously poor electrocatalyst for the HER [Trasatti, 1972]. Hence, it appears that our computational, combinatorial screening procedure is capable of identifying improved catalysts for electrochemical reactions that are not immediately apparent from simple intuitive arguments. 

Enzyme-adduct formation has also been successfully achieved with the Erbl and 2 (receptor tyrosine kinases from EGFR subfamily) [19, 20], suggesting that the tethered library-screening approach would also be amenable to protein kinases. 

Roberts, S. A., High-throughput screening approaches for investigating drug metabolism and pharmacokinetics, Xenobiotica 31, 557-589 (2001). 

George, S. et al. (2010) Use of a rapid cytotoxicity screening approach to engineer a safer zinc oxide nanoparticle through iron doping. ACS Nano, 4 (1), 15-29. 

Second, several technological advances are allowing more black box screening approaches to be increasingly utilized these approaches attempt to focus... 

Amplified Luminescence Proximity Homogeneous Assay (AlphaS-creen ) technology have been reported [50,51]. With an HTS methodology in hand and orthogonal assays previously developed [47-49], nonpeptide antagonists of methyl lysine binding should appear from diversity screening approaches in the near future. 

The activity size distribution of the ultrafine mode was measured using the BuMines stacked single screen method (Holub and Knutson, 1986), the EML separate single screens approach (Holub and Knutson, 1986), and the UI mobility analyzer (Kulju, et al., 1986) for various relative humidities and the presence or absence of added S0o... 

A non-classical, but still rational and structure-based, screening approach was applied by researchers at Abbott Laboratories, utilizing the SAR-by-NMR technique [126, 127] to identify biophysically pTyr mimics for the Lck SH2... 

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