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Perspective

Observations on Screening-Based Research and Some Concerning Trends in the Literature

Pages 1529-1546 | Published online: 13 Oct 2010

Bibliography

  • Baell JB , HollowayGA. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays.J. Med. Chem.53(7), 2719–2740 (2010).
  • McLean LR , ZhangY, LiH. et al. Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg. Med. Chem. Lett.23, 6717–6720 (2009).
  • Ifa DR , RodriguesCR, de Alencastro RB, Fraga CAM, Barriero EJ. A possible molecular mechanism for the inhibition of cysteine proteases by salicylaldehyde N-acylhydrazones and related compounds. J. Mol. Struct.505, 11–17 (2000).
  • Kaumanns O , MayrH. Electrophilicity parameters of 5-benzylidene-2,2-dimethyl[1,3]dioaxane-4,6-diones (benzylidene Meldrum’s acids).J. Org. Chem.73(7), 2738–2745 (2008).
  • Regland B , LehmannW, AbediniI. et al. Treatment of Alzheimer’s disease with clioquinol. Dement. Geriatr. Cogn Disord.12(6), 408–414 (2001).
  • Ledesma GN , SierraMG, EscandarGM. Spectroscopic and theoretical study or aromatic α-hydroxy hydrazones and their copper (II) complexes in dioxane-water mixtures.Polyhedron17, 1517–1523 (1998).
  • Ainscough EW , BrodieAM, DennyWA, FinlayGJ, GotheSA, RanfordJD. Cytotoxicity of salicylaldehyde benzoylhydrazone analogs and their transition metal complexes: quantitative structure–activity relationships.J. Inorg. Biochem.77, 125–133 (1999).
  • Forino M , JohnsonS, WongTYet al. Efficient synthetic inhibitors of anthrax lethal factor. Proc. Natl Acad. Sci USA 102, 9499–9504 (2005).
  • Powers JP , PiperDE, LiYet al. SAR and mode of action of novel non-nucleoside inhibitors of hepatitis C NS5b RNA polymerase. J. Med. Chem. 49, 1034–1046 (2006).
  • Lee G , PiperDE, WangZet al. Novel inhibitors of hepatitis C virus RNA-dependent RNA polymerase. J. Mol. Biol. 357, 1051–1057 (2006).
  • Carter PH , ScherlePA, MuckelbauerJAet al. Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-α. Proc. Natl Acad. Sci. USA 98, 11879–11884 (2001).
  • Voss ME , CarterPH, TebbenAJet al. Both 5-arylidene-2-thioxodihydropyrimidine-4,6(1H,5H)-diones and 3-thioxo-2,3-dihydro-1H-imidazo[1,5-a]indol-1-ones are light-dependent tumor necrosis factor-α antagonists. Bioorg. Med. Chem. Lett. 13, 533–538 (2003).
  • Carlson EE , MayJF, KiesslingLL. Chemical probes of UDP-galactopyranose mutase.Chem. Biol.13, 825–837 (2006).
  • van Delft MF , WeiAH, MasonKDet al. The BH3 mimetic ABT-737-targets selective Bcl-2 proteins and efficiently induces apoptosis via Bak/Bax if Mcl-1 is neutralized. Cancer Cell 10, 389–399 (2006).
  • Degterev A , LugovskyA, CardoneMet al. Identification of small-molecule inhibitors of the interaction between the BH3 domain and Bcl-xL. Nature Cell Biol. 3, 173–182 (2001).
  • Ramesh C , NayakTK, BuraiRet al. Synthesis and characterization of iodinated tetrahydroquinolines targeting the G protein-coupled estrogen receptor GPR30. J. Med. Chem. 53(3), 1004–1014 (2010).
  • Wolf MC , FreibergAN, ZhangTet al. A broad-spectrum antiviral targeting entry of enveloped viruses. Proc. Natl Acad. Sci. USA 107(7), 3157–3162 (2010).
  • Rizvi SA , NeidtEM, CuiJet al. Identification and characterization of a small molecule inhibitor of formin-mediated actin assembly. Chem. Biol. 16(11), 1158–1168 (2009).
  • Bowers EM , YanG, MukherjeeCet al. Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor. Chem. Biol. 17(5), 471–482 (2010).
  • Kaiser J . Industry-style screening meets academic biology.Science321(5890), 764–766 (2008).
  • Smith AJT , ZhangX, LeachAG, HoukKN. Beyond picomolar affinities: quantitative aspects of noncovalent and covalent binding of drugs to proteins.J .Med. Chem.52(2), 225–233 (2009).
  • Johnson DS , WeerapanE, CravattBF. Strategies for discovering and derisking covalent, irreversible enzyme inhibitors.Future Med. Chem.2(6), 949–964 (2010).
  • Aghajan M , JonaiN, FlickKet al. Chemical genetics screen for enhancers of rapamycin identifies a specific inhibitor of an SCF family E3 ubiquitin ligase. Nature Biotechnol. 28(7), 738–744 (2010).
  • Rishton GM . Reactive compounds and in vitro false positives in HTS. Drug Discov. Today2, 382–384 (1997).
  • Hann M , HudsonB, LewellX, LifelyR, MillerL, RamsdenN. Strategic pooling of compounds for high-throughput screening.J. Chem. Inf. Comput. Sci.39, 897–902 (1999).
  • Walters WP , MurckoMA. Prediction of ‘drug-likeness’. Adv.Drug. Deliv. Rev.54, 255–271 (2002).
  • Huth JR , MendozaR, OlejniczakETet al. ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens. J. Amer. Chem. Soc. 127, 217–224 (2005).
  • Thorne N , AuldDS, IngleseJ. Apparent activity in high-throughput screening: origins of compound-dependent assay interference.Curr. Opin. Chem. Biol.14, 315–324 (2010).
  • Lor LL , SchneckJ, McNultyDEet al. A simple assay for detection of small-molecule redox activity. J. Biomol. Screen. 12, 881–890 (2007).
  • Johnston PA , SoaresKM, ShindeSNet al. Development of a 384-well colorimetric assay to quantify hydrogen peroxide generated by the redox cycling of compounds in the presence of reducing agents. Ass. Drug Develop. Technol. 6, 505–518 (2008).
  • Brown GR , BamfordAM, BowyerJet al. Naphthyl ketones: a new class of janus kinase 3 inhibitors. Bioorg. Med. Chem. Lett. 10(6), 575–579 (2000).
  • Arnold LA , Estebanez-PerpinaE, TogashiMet al. Discovery of small molecule inhibitors of the interaction of the thyroid hormone-receptor with transcriptional coregulators. J. Biol. Chem. 280(52), 43048–43055 (2005).
  • Hwang JY , ArnoldLA, ZhuFet al. Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J. Med. Chem. 52, 3892–3901 (2009).
  • Gao M , NettlesRE, BelemaMet al. Chemical genetics strategy identifies an HCV NS5A inhibitor with a potent clinical effect. Nature 465, 96–100 (2010).
  • Frye SV . The art of the chemical probe.Nat. Chem. Biol.6, 159–161 (2010).
  • Homer RW , SwansonJ, JilekRJ, HurstT, ClarkRD. SYBYL Line notation (SLN): a single notation to represent chemical structures, queries, reactions and virtual libraries.J. Chem. Inf. Model.48(12), 2294–2307 (2008).
  • Gorsuch S , BavetsiasV, RowlandsMGet al. Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs). Bioorg. Med. Chem. 17(2), 467–474 (2009).
  • Martin DC , JonesDC, FairlambAH, ClardyJ. High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity.Bioorg. Med. Chem. Lett.17(5), 1280–1283 (2007).

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