메뉴 건너뛰기




Volumn 12, Issue 3, 2017, Pages 575-578

The Ecstasy and Agony of Assay Interference Compounds

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COMPOUND; ENZYME INHIBITOR; COLLOID;

EID: 85015757146     PISSN: 15548929     EISSN: 15548937     Source Type: Journal    
DOI: 10.1021/acschembio.7b00119     Document Type: Review
Times cited : (19)

References (42)
  • 1
    • 84908530414 scopus 로고    scopus 로고
    • Chemistry: Chemical con artists foil drug discovery
    • Baell, J. and Walters, M. A. (2014) Chemistry: Chemical con artists foil drug discovery Nature 513, 481-483 10.1038/513481a
    • (2014) Nature , vol.513 , pp. 481-483
    • Baell, J.1    Walters, M.A.2
  • 2
    • 0037061628 scopus 로고    scopus 로고
    • A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening
    • McGovern, S. L., Caselli, E., Grigorieff, N., and Shoichet, B. K. (2002) A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening J. Med. Chem. 45, 1712-1722 10.1021/jm010533y
    • (2002) J. Med. Chem. , vol.45 , pp. 1712-1722
    • McGovern, S.L.1    Caselli, E.2    Grigorieff, N.3    Shoichet, B.K.4
  • 3
    • 84930272167 scopus 로고    scopus 로고
    • Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation
    • Allen, W. J., Yi, H. A., Gochin, M., Jacobs, A., and Rizzo, R. C. (2015) Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation Bioorg. Med. Chem. Lett. 25, 2853-2859 10.1016/j.bmcl.2015.04.067
    • (2015) Bioorg. Med. Chem. Lett. , vol.25 , pp. 2853-2859
    • Allen, W.J.1    Yi, H.A.2    Gochin, M.3    Jacobs, A.4    Rizzo, R.C.5
  • 4
    • 80955151802 scopus 로고    scopus 로고
    • Pharmacophore identification, virtual screening and biological evaluation of prenylated flavonoids derivatives as PKB/Akt1 inhibitors
    • Dong, X., Zhou, X., Jing, H., Chen, J., Liu, T., Yang, B., He, Q., and Hu, Y. (2011) Pharmacophore identification, virtual screening and biological evaluation of prenylated flavonoids derivatives as PKB/Akt1 inhibitors Eur. J. Med. Chem. 46, 5949-5958 10.1016/j.ejmech.2011.10.006
    • (2011) Eur. J. Med. Chem. , vol.46 , pp. 5949-5958
    • Dong, X.1    Zhou, X.2    Jing, H.3    Chen, J.4    Liu, T.5    Yang, B.6    He, Q.7    Hu, Y.8
  • 5
    • 84934784432 scopus 로고    scopus 로고
    • Structure-based discovery of an immunomodulatory inhibitor of TLR1-TLR2 heterodimerization from a natural product-like database
    • Zhong, Z., Liu, L. J., Dong, Z. Q., Lu, L., Wang, M., Leung, C. H., Ma, D. L., and Wang, Y. (2015) Structure-based discovery of an immunomodulatory inhibitor of TLR1-TLR2 heterodimerization from a natural product-like database Chem. Commun. (Cambridge, U. K.) 51, 11178-11181 10.1039/C5CC02728D
    • (2015) Chem. Commun. (Cambridge, U. K.) , vol.51 , pp. 11178-11181
    • Zhong, Z.1    Liu, L.J.2    Dong, Z.Q.3    Lu, L.4    Wang, M.5    Leung, C.H.6    Ma, D.L.7    Wang, Y.8
  • 6
    • 84940670996 scopus 로고    scopus 로고
    • Docking studies on the interaction of flavonoids with fat mass and obesity associated protein
    • Mohammed, A., Al-Numair, K. S., and Balakrishnan, A. (2015) Docking studies on the interaction of flavonoids with fat mass and obesity associated protein Pak. J. Pharm. Sci. 28, 1647-1653
    • (2015) Pak. J. Pharm. Sci. , vol.28 , pp. 1647-1653
    • Mohammed, A.1    Al-Numair, K.S.2    Balakrishnan, A.3
  • 7
    • 84855675692 scopus 로고    scopus 로고
    • Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors
    • Park, H., Kim, S. Y., Kyung, A., Yoon, T. S., Ryu, S. E., and Jeong, D. G. (2012) Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors Bioorg. Med. Chem. Lett. 22, 1271-1275 10.1016/j.bmcl.2011.10.083
    • (2012) Bioorg. Med. Chem. Lett. , vol.22 , pp. 1271-1275
    • Park, H.1    Kim, S.Y.2    Kyung, A.3    Yoon, T.S.4    Ryu, S.E.5    Jeong, D.G.6
  • 8
    • 84939249563 scopus 로고    scopus 로고
    • Novel broad spectrum inhibitors targeting the flavivirus methyltransferase
    • Brecher, M., Chen, H., Liu, B., Banavali, N. K., Jones, S. A., Zhang, J., Li, Z., Kramer, L. D., and Li, H. (2015) Novel broad spectrum inhibitors targeting the flavivirus methyltransferase PLoS One 10, e0130062 10.1371/journal.pone.0130062
    • (2015) PLoS One , vol.10 , pp. e0130062
    • Brecher, M.1    Chen, H.2    Liu, B.3    Banavali, N.K.4    Jones, S.A.5    Zhang, J.6    Li, Z.7    Kramer, L.D.8    Li, H.9
  • 10
    • 77950571108 scopus 로고    scopus 로고
    • New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays
    • Baell, J. B. and Holloway, G. A. (2010) New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays J. Med. Chem. 53, 2719-2740 10.1021/jm901137j
    • (2010) J. Med. Chem. , vol.53 , pp. 2719-2740
    • Baell, J.B.1    Holloway, G.A.2
  • 11
    • 33745188660 scopus 로고    scopus 로고
    • Screening in a spirit haunted world
    • Shoichet, B. K. (2006) Screening in a spirit haunted world Drug Discovery Today 11, 607-615 10.1016/j.drudis.2006.05.014
    • (2006) Drug Discovery Today , vol.11 , pp. 607-615
    • Shoichet, B.K.1
  • 12
    • 0037394124 scopus 로고    scopus 로고
    • Designing screens: How to make your hits a hit
    • Walters, W. P. and Namchuk, M. (2003) Designing screens: how to make your hits a hit Nat. Rev. Drug Discovery 2, 259-266 10.1038/nrd1063
    • (2003) Nat. Rev. Drug Discovery , vol.2 , pp. 259-266
    • Walters, W.P.1    Namchuk, M.2
  • 13
    • 0037439447 scopus 로고    scopus 로고
    • Nonleadlikeness and leadlikeness in biochemical screening
    • Rishton, G. M. (2003) Nonleadlikeness and leadlikeness in biochemical screening Drug Discovery Today 8, 86-96 10.1016/S1359644602025722
    • (2003) Drug Discovery Today , vol.8 , pp. 86-96
    • Rishton, G.M.1
  • 15
    • 78650630819 scopus 로고    scopus 로고
    • Fluorescence polarization assays in small molecule screening
    • Lea, W. A. and Simeonov, A. (2011) Fluorescence polarization assays in small molecule screening Expert Opin. Drug Discovery 6, 17-32 10.1517/17460441.2011.537322
    • (2011) Expert Opin. Drug Discovery , vol.6 , pp. 17-32
    • Lea, W.A.1    Simeonov, A.2
  • 16
    • 77952545106 scopus 로고    scopus 로고
    • Apparent activity in high-throughput screening: Origins of compound-dependent assay interference
    • Thorne, N., Auld, D. S., and Inglese, J. (2010) Apparent activity in high-throughput screening: origins of compound-dependent assay interference Curr. Opin. Chem. Biol. 14, 315-324 10.1016/j.cbpa.2010.03.020
    • (2010) Curr. Opin. Chem. Biol. , vol.14 , pp. 315-324
    • Thorne, N.1    Auld, D.S.2    Inglese, J.3
  • 18
    • 84940999062 scopus 로고    scopus 로고
    • Degradation of curcumin: From mechanism to biological implications
    • Schneider, C., Gordon, O. N., Edwards, R. L., and Luis, P. B. (2015) Degradation of curcumin: From mechanism to biological implications J. Agric. Food Chem. 63, 7606-7614 10.1021/acs.jafc.5b00244
    • (2015) J. Agric. Food Chem. , vol.63 , pp. 7606-7614
    • Schneider, C.1    Gordon, O.N.2    Edwards, R.L.3    Luis, P.B.4
  • 20
    • 47749106894 scopus 로고    scopus 로고
    • Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors
    • Coan, K. E. and Shoichet, B. K. (2008) Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors J. Am. Chem. Soc. 130, 9606-9612 10.1021/ja802977h
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 9606-9612
    • Coan, K.E.1    Shoichet, B.K.2
  • 21
    • 34249000046 scopus 로고    scopus 로고
    • A high-throughput screen for aggregation-based inhibition in a large compound library
    • Feng, B. Y., Simeonov, A., Jadhav, A., Babaoglu, K., Inglese, J., Shoichet, B. K., and Austin, C. P. (2007) A high-throughput screen for aggregation-based inhibition in a large compound library J. Med. Chem. 50, 2385-2390 10.1021/jm061317y
    • (2007) J. Med. Chem. , vol.50 , pp. 2385-2390
    • Feng, B.Y.1    Simeonov, A.2    Jadhav, A.3    Babaoglu, K.4    Inglese, J.5    Shoichet, B.K.6    Austin, C.P.7
  • 23
    • 70449372265 scopus 로고    scopus 로고
    • Small-molecule activators of a proenzyme
    • Wolan, D. W., Zorn, J. A., Gray, D. C., and Wells, J. A. (2009) Small-molecule activators of a proenzyme Science 326, 853-858 10.1126/science.1177585
    • (2009) Science , vol.326 , pp. 853-858
    • Wolan, D.W.1    Zorn, J.A.2    Gray, D.C.3    Wells, J.A.4
  • 24
    • 84958997845 scopus 로고    scopus 로고
    • Can invalid bioactives undermine natural product-based drug discovery?
    • Bisson, J., McAlpine, J. B., Friesen, J. B., Chen, S. N., Graham, J., and Pauli, G. F. (2016) Can invalid bioactives undermine natural product-based drug discovery? J. Med. Chem. 59, 1671-1690 10.1021/acs.jmedchem.5b01009
    • (2016) J. Med. Chem. , vol.59 , pp. 1671-1690
    • Bisson, J.1    McAlpine, J.B.2    Friesen, J.B.3    Chen, S.N.4    Graham, J.5    Pauli, G.F.6
  • 26
    • 84865455985 scopus 로고    scopus 로고
    • Firefly luciferase in chemical biology: A compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter
    • Thorne, N., Shen, M., Lea, W. A., Simeonov, A., Lovell, S., Auld, D. S., and Inglese, J. (2012) Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter Chem. Biol. 19, 1060-1072 10.1016/j.chembiol.2012.07.015
    • (2012) Chem. Biol. , vol.19 , pp. 1060-1072
    • Thorne, N.1    Shen, M.2    Lea, W.A.3    Simeonov, A.4    Lovell, S.5    Auld, D.S.6    Inglese, J.7
  • 27
    • 84964826870 scopus 로고    scopus 로고
    • How to triage PAINS-full research
    • Dahlin, J. L. and Walters, M. A. (2016) How to triage PAINS-full research Assay Drug Dev. Technol. 14, 168-174 10.1089/adt.2015.674
    • (2016) Assay Drug Dev. Technol. , vol.14 , pp. 168-174
    • Dahlin, J.L.1    Walters, M.A.2
  • 28
    • 84962361047 scopus 로고    scopus 로고
    • Feeling nature's PAINS: Natural products, natural product drugs, and pan assay interference compounds (PAINS)
    • Baell, J. B. (2016) Feeling nature's PAINS: Natural products, natural product drugs, and pan assay interference compounds (PAINS) J. Nat. Prod. 79, 616-628 10.1021/acs.jnatprod.5b00947
    • (2016) J. Nat. Prod. , vol.79 , pp. 616-628
    • Baell, J.B.1
  • 29
    • 77958044565 scopus 로고    scopus 로고
    • Observations on screening-based research and some concerning trends in the literature
    • Baell, J. B. (2010) Observations on screening-based research and some concerning trends in the literature Future Med. Chem. 2, 1529-1546 10.4155/fmc.10.237
    • (2010) Future Med. Chem. , vol.2 , pp. 1529-1546
    • Baell, J.B.1
  • 30
    • 84924708699 scopus 로고    scopus 로고
    • Screening-based translation of public research encounters painful problems
    • Baell, J. B. (2015) Screening-based translation of public research encounters painful problems ACS Med. Chem. Lett. 6, 229-234 10.1021/acsmedchemlett.5b00032
    • (2015) ACS Med. Chem. Lett. , vol.6 , pp. 229-234
    • Baell, J.B.1
  • 31
    • 84982207763 scopus 로고    scopus 로고
    • Assay interference by chemical reactivity
    • (Sittampalam, G. S. Coussens, N. P. Nelson, H. Arkin, M. Auld, D. Austin, C. Bejcek, B. Glicksman, M. Inglese, J. Iversen, P. W. Li, Z. McGee, J. McManus, O. Minor, L. Napper, A. Peltier, J. M. Riss, T. Trask, O. J. Jr. and Weidner, J. Eds.) Eli Lilly & Company and the National Center for Advancing Translational Sciences, Bethesda, MD
    • Dahlin, J. L., Baell, J., and Walters, M. A. (2015) Assay interference by chemical reactivity, In Assay Guidance Manual (Sittampalam, G. S., Coussens, N. P., Nelson, H., Arkin, M., Auld, D., Austin, C., Bejcek, B., Glicksman, M., Inglese, J., Iversen, P. W., Li, Z., McGee, J., McManus, O., Minor, L., Napper, A., Peltier, J. M., Riss, T., Trask, O. J., Jr., and Weidner, J., Eds.) Eli Lilly & Company and the National Center for Advancing Translational Sciences, Bethesda, MD.
    • (2015) Assay Guidance Manual
    • Dahlin, J.L.1    Baell, J.2    Walters, M.A.3
  • 32
    • 69049101145 scopus 로고    scopus 로고
    • Divergent modes of enzyme inhibition in a homologous structure-activity series
    • Ferreira, R. S., Bryant, C., Ang, K. K., McKerrow, J. H., Shoichet, B. K., and Renslo, A. R. (2009) Divergent modes of enzyme inhibition in a homologous structure-activity series J. Med. Chem. 52, 5005-5008 10.1021/jm9009229
    • (2009) J. Med. Chem. , vol.52 , pp. 5005-5008
    • Ferreira, R.S.1    Bryant, C.2    Ang, K.K.3    McKerrow, J.H.4    Shoichet, B.K.5    Renslo, A.R.6
  • 33
    • 84956696088 scopus 로고    scopus 로고
    • Pan assay interference compounds (PAINS) and other promiscuous compounds in antifungal research
    • Pouliot, M. and Jeanmart, S. (2016) Pan assay interference compounds (PAINS) and other promiscuous compounds in antifungal research J. Med. Chem. 59, 497-503 10.1021/acs.jmedchem.5b00361
    • (2016) J. Med. Chem. , vol.59 , pp. 497-503
    • Pouliot, M.1    Jeanmart, S.2
  • 34
    • 33747335931 scopus 로고    scopus 로고
    • Chemical probes of UDP-galactopyranose mutase
    • Carlson, E. E., May, J. F., and Kiessling, L. L. (2006) Chemical probes of UDP-galactopyranose mutase Chem. Biol. 13, 825-837 10.1016/j.chembiol.2006.06.007
    • (2006) Chem. Biol. , vol.13 , pp. 825-837
    • Carlson, E.E.1    May, J.F.2    Kiessling, L.L.3
  • 37
    • 33751321865 scopus 로고    scopus 로고
    • A detergent-based assay for the detection of promiscuous inhibitors
    • Feng, B. Y. and Shoichet, B. K. (2006) A detergent-based assay for the detection of promiscuous inhibitors Nat. Protoc. 1, 550-553 10.1038/nprot.2006.77
    • (2006) Nat. Protoc. , vol.1 , pp. 550-553
    • Feng, B.Y.1    Shoichet, B.K.2
  • 38
    • 84875733971 scopus 로고    scopus 로고
    • Colloidal aggregation causes inhibition of G protein-coupled receptors
    • Sassano, M. F., Doak, A. K., Roth, B. L., and Shoichet, B. K. (2013) Colloidal aggregation causes inhibition of G protein-coupled receptors J. Med. Chem. 56, 2406-2414 10.1021/jm301749y
    • (2013) J. Med. Chem. , vol.56 , pp. 2406-2414
    • Sassano, M.F.1    Doak, A.K.2    Roth, B.L.3    Shoichet, B.K.4
  • 39
    • 84865256887 scopus 로고    scopus 로고
    • Colloidal aggregation affects the efficacy of anticancer drugs in cell culture
    • Owen, S. C., Doak, A. K., Wassam, P., Shoichet, M. S., and Shoichet, B. K. (2012) Colloidal aggregation affects the efficacy of anticancer drugs in cell culture ACS Chem. Biol. 7, 1429-1435 10.1021/cb300189b
    • (2012) ACS Chem. Biol. , vol.7 , pp. 1429-1435
    • Owen, S.C.1    Doak, A.K.2    Wassam, P.3    Shoichet, M.S.4    Shoichet, B.K.5
  • 41
    • 33845491449 scopus 로고    scopus 로고
    • Interpreting steep dose-response curves in early inhibitor discovery
    • Shoichet, B. K. (2006) Interpreting steep dose-response curves in early inhibitor discovery J. Med. Chem. 49, 7274-7277 10.1021/jm061103g
    • (2006) J. Med. Chem. , vol.49 , pp. 7274-7277
    • Shoichet, B.K.1
  • 42
    • 84886509950 scopus 로고    scopus 로고
    • Metrics other than potency reveal systematic variation in responses to cancer drugs
    • Fallahi-Sichani, M., Honarnejad, S., Heiser, L. M., Gray, J. W., and Sorger, P. K. (2013) Metrics other than potency reveal systematic variation in responses to cancer drugs Nat. Chem. Biol. 9, 708-714 10.1038/nchembio.1337
    • (2013) Nat. Chem. Biol. , vol.9 , pp. 708-714
    • Fallahi-Sichani, M.1    Honarnejad, S.2    Heiser, L.M.3    Gray, J.W.4    Sorger, P.K.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.