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Volumn 11, Issue 6, 2016, Pages 557-567

Modern approaches to accelerate discovery of new antischistosomal drugs

Author keywords

automated assays; computer aided molecular design; data quality; drug discovery; perspectives; Schistosomiasis; virtual screening

Indexed keywords

ANTISCHISTOSOMAL AGENT; LIGAND; PROTEIN;

EID: 84965047083     PISSN: 17460441     EISSN: 1746045X     Source Type: Journal    
DOI: 10.1080/17460441.2016.1178230     Document Type: Review
Times cited : (18)

References (100)
  • 1
    • 84903277019 scopus 로고    scopus 로고
    • Human schistosomiasis
    • D.G.Colley, A.L.Bustinduy, W.E.Secor, et al. Human schistosomiasis. Lancet. 2014;383:2253–2264. doi:10.1016/S0140-6736(13)61612-8.•• Very concise and clear description of schistosomiasis.
    • (2014) Lancet , vol.383 , pp. 2253-2264
    • Colley, D.G.1    Bustinduy, A.L.2    Secor, W.E.3
  • 2
    • 84969200566 scopus 로고    scopus 로고
    • Available from:, Jan
    • World Health Organization. Schistosomiasis [Internet]; [cited 2016 Jan3] Available from: http://www.who.int/mediacentre/factsheets/fs115/en/
    • Schistosomiasis [Internet]
  • 3
    • 0017622884 scopus 로고
    • Praziquantel, a new board-spectrum antischistosomal agent
    • R.Gönnert, P.Andrews Praziquantel, a new board-spectrum antischistosomal agent. Z Parasitenkd. 1977;52:129–150. doi:10.1007/BF00389899.
    • (1977) Z Parasitenkd , vol.52 , pp. 129-150
    • Gönnert, R.1    Andrews, P.2
  • 4
    • 0029738033 scopus 로고    scopus 로고
    • Characterization of isolates of Schistosoma mansoni from Egyptian villagers that tolerate high doses of praziquantel
    • M.Ismail, A.Metwally, A.Farghaly, et al. Characterization of isolates of Schistosoma mansoni from Egyptian villagers that tolerate high doses of praziquantel. Am J Trop Med Hyg. 1996;55:214–218.
    • (1996) Am J Trop Med Hyg , vol.55 , pp. 214-218
    • Ismail, M.1    Metwally, A.2    Farghaly, A.3
  • 5
    • 0029009379 scopus 로고
    • Short report: diminished susceptibility to praziquantel in a Senegal isolate of Schistosoma mansoni
    • P.G.Fallon, R.F.Sturrock, A.C.Niang, et al. Short report: diminished susceptibility to praziquantel in a Senegal isolate of Schistosoma mansoni. Am J Trop Med Hyg. 1995;53:61–62.
    • (1995) Am J Trop Med Hyg , vol.53 , pp. 61-62
    • Fallon, P.G.1    Sturrock, R.F.2    Niang, A.C.3
  • 6
    • 84868122341 scopus 로고    scopus 로고
    • Susceptibility or resistance of praziquantel in human schistosomiasis: a review
    • W.Wang, L.Wang, Y.Liang. Susceptibility or resistance of praziquantel in human schistosomiasis: a review. Parasitol Res. 2012;111:1871–1877. doi:10.1007/s00436-012-2938-2.
    • (2012) Parasitol Res , vol.111 , pp. 1871-1877
    • Wang, W.1    Wang, L.2    Liang, Y.3
  • 7
    • 80052483092 scopus 로고    scopus 로고
    • Schistosomiasis: from drug deployment to drug development
    • C.R.Caffrey, W.E.Secor. Schistosomiasis: from drug deployment to drug development. Curr Opin Infect Dis. 2011;24:410–417. doi:10.1097/QCO.0b013e328349156f.
    • (2011) Curr Opin Infect Dis , vol.24 , pp. 410-417
    • Caffrey, C.R.1    Secor, W.E.2
  • 8
    • 84928384454 scopus 로고    scopus 로고
    • Anthelmintic drug discovery: into the future
    • T.G.Geary, J.A.Sakanari, C.R.Caffrey. Anthelmintic drug discovery: into the future. J Parasitol. 2015;101:125–133. doi:10.1645/15-767.
    • (2015) J Parasitol , vol.101 , pp. 125-133
    • Geary, T.G.1    Sakanari, J.A.2    Caffrey, C.R.3
  • 9
    • 35448999738 scopus 로고    scopus 로고
    • Schistosomes: challenges in compound screening
    • B.Ramirez, Q.Bickle, F.Yousif, et al. Schistosomes: challenges in compound screening. Expert Opin Drug Discov. 2007;2:S53–S61. doi:10.1517/17460441.2.1.115.
    • (2007) Expert Opin Drug Discov , vol.2 , pp. S53-S61
    • Ramirez, B.1    Bickle, Q.2    Yousif, F.3
  • 10
    • 77949653928 scopus 로고    scopus 로고
    • In vitro and in vivo trematode models for chemotherapeutic studies
    • J.Keiser. In vitro and in vivo trematode models for chemotherapeutic studies. Parasitology. 2010;137:589–603. doi:10.1017/S0031182009991739.
    • (2010) Parasitology , vol.137 , pp. 589-603
    • Keiser, J.1
  • 11
    • 33750531864 scopus 로고    scopus 로고
    • Innovative lead discovery strategies for tropical diseases
    • S.Nwaka, A.Hudson. Innovative lead discovery strategies for tropical diseases. Nat Rev Drug Discov. 2006;5:941–955. doi:10.1038/nrd2144.•• Overview of drug discovery for neglected tropical diseases.
    • (2006) Nat Rev Drug Discov , vol.5 , pp. 941-955
    • Nwaka, S.1    Hudson, A.2
  • 12
    • 67650789618 scopus 로고    scopus 로고
    • The genome of the blood fluke Schistosoma mansoni
    • M.Berriman, B.J.Haas, P.T.LoVerde, et al. The genome of the blood fluke Schistosoma mansoni. Nature. 2009;460:352–358. doi:10.1038/nature08160.
    • (2009) Nature , vol.460 , pp. 352-358
    • Berriman, M.1    Haas, B.J.2    LoVerde, P.T.3
  • 13
    • 84856579279 scopus 로고    scopus 로고
    • A systematically improved high quality genome and transcriptome of the human blood fluke Schistosoma mansoni
    • A.V.Protasio, I.J.Tsai, A.Babbage, et al. A systematically improved high quality genome and transcriptome of the human blood fluke Schistosoma mansoni. PLoS Negl Trop Dis. 2012;6:e1455. doi:10.1371/journal.pntd.0001455.
    • (2012) PLoS Negl Trop Dis , vol.6 , pp. e1455
    • Protasio, A.V.1    Tsai, I.J.2    Babbage, A.3
  • 14
    • 67650786530 scopus 로고    scopus 로고
    • The Schistosoma japonicum genome reveals features of host–parasite interplay
    • Y.Zhou, H.Zheng, Y.Chen, et al. The Schistosoma japonicum genome reveals features of host–parasite interplay. Nature. 2009;460:345–351. doi:10.1038/nature08140.
    • (2009) Nature , vol.460 , pp. 345-351
    • Zhou, Y.1    Zheng, H.2    Chen, Y.3
  • 15
    • 84862777661 scopus 로고    scopus 로고
    • Whole-genome sequence of Schistosoma haematobium
    • N.D.Young, A.R.Jex, B.Li, et al. Whole-genome sequence of Schistosoma haematobium. Nat Genet. 2012;44:221–225. doi:10.1038/ng.1065.•• Schistosome genomics data available to start drug discovery projects.
    • (2012) Nat Genet , vol.44 , pp. 221-225
    • Young, N.D.1    Jex, A.R.2    Li, B.3
  • 16
    • 71749099374 scopus 로고    scopus 로고
    • HTS and hit finding in academia – from chemical genomics to drug discovery
    • J.A.Frearson, I.T.Collie. HTS and hit finding in academia – from chemical genomics to drug discovery. Drug Discov Today. 2009;14:1150–1158. doi:10.1016/j.drudis.2009.09.004.
    • (2009) Drug Discov Today , vol.14 , pp. 1150-1158
    • Frearson, J.A.1    Collie, I.T.2
  • 17
    • 84945263165 scopus 로고    scopus 로고
    • The promise of open innovation in drug discovery: an industry perspective
    • S.Rees. The promise of open innovation in drug discovery: an industry perspective. Future Med Chem. 2015;7:1835–1838. doi:10.4155/fmc.15.125.
    • (2015) Future Med Chem , vol.7 , pp. 1835-1838
    • Rees, S.1
  • 18
    • 84906764097 scopus 로고    scopus 로고
    • The essential roles of chemistry in high-throughput screening triage
    • J.L.Dahlin, M.A.Walters. The essential roles of chemistry in high-throughput screening triage. Future Med Chem. 2014;6:1265–1290. doi:10.4155/fmc.14.60.
    • (2014) Future Med Chem , vol.6 , pp. 1265-1290
    • Dahlin, J.L.1    Walters, M.A.2
  • 19
    • 48949117601 scopus 로고    scopus 로고
    • Quantitative high-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade
    • A.Simeonov, A.Jadhav, A.A.Sayed, et al. Quantitative high-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade. PLoS Negl Trop Dis. 2008;2:e127. doi:10.1371/journal.pntd.0000127.
    • (2008) PLoS Negl Trop Dis , vol.2 , pp. e127
    • Simeonov, A.1    Jadhav, A.2    Sayed, A.A.3
  • 20
    • 78449249121 scopus 로고    scopus 로고
    • Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD(+) catabolizing enzyme
    • I.Kuhn, E.Kellenberger, F.Said-Hassane, et al. Identification by high-throughput screening of inhibitors of Schistosoma mansoni NAD(+) catabolizing enzyme. Bioorg Med Chem. 2010;18:7900–7910. doi:10.1016/j.bmc.2009.12.033.
    • (2010) Bioorg Med Chem , vol.18 , pp. 7900-7910
    • Kuhn, I.1    Kellenberger, E.2    Said-Hassane, F.3
  • 21
    • 34347264532 scopus 로고    scopus 로고
    • Thioredoxin glutathione reductase from Schistosoma mansoni: an essential parasite enzyme and a key drug target
    • A.N.Kuntz, E.Davioud-Charvet, A.A.Sayed, et al. Thioredoxin glutathione reductase from Schistosoma mansoni: an essential parasite enzyme and a key drug target. PLoS Med. 2007;4:e206. doi:10.1371/journal.pmed.0040206.
    • (2007) PLoS Med , vol.4 , pp. e206
    • Kuntz, A.N.1    Davioud-Charvet, E.2    Sayed, A.A.3
  • 22
    • 41849098521 scopus 로고    scopus 로고
    • Identification of oxadiazoles as new drug leads for the control of schistosomiasis
    • A.A.Sayed, A.Simeonov, C.J.Thomas, et al. Identification of oxadiazoles as new drug leads for the control of schistosomiasis. Nat Med. 2008;14:407–412. doi:10.1038/nm1737.
    • (2008) Nat Med , vol.14 , pp. 407-412
    • Sayed, A.A.1    Simeonov, A.2    Thomas, C.J.3
  • 23
    • 84880299041 scopus 로고    scopus 로고
    • Automated imaging and other developments in whole-organism anthelmintic screening
    • R.A.Paveley, Q.D.Bickle. Automated imaging and other developments in whole-organism anthelmintic screening. Parasite Immunol. 2013;35:302–313. doi:10.1111/pim.2013.35.issue-9pt10.
    • (2013) Parasite Immunol , vol.35 , pp. 302-313
    • Paveley, R.A.1    Bickle, Q.D.2
  • 24
    • 79953899901 scopus 로고    scopus 로고
    • Isothermal microcalorimetry to study drugs against Schistosoma mansoni
    • T.Manneck, O.Braissant, Y.Haggenmuller, et al. Isothermal microcalorimetry to study drugs against Schistosoma mansoni. J Clin Microbiol. 2011;49:1217–1225. doi:10.1128/JCM.02382-10.
    • (2011) J Clin Microbiol , vol.49 , pp. 1217-1225
    • Manneck, T.1    Braissant, O.2    Haggenmuller, Y.3
  • 25
    • 78649779750 scopus 로고    scopus 로고
    • A novel high throughput assay for anthelmintic drug screening and resistance diagnosis by real-time monitoring of parasite motility
    • M.J.Smout, A.C.Kotze, J.S.McCarthy, et al. A novel high throughput assay for anthelmintic drug screening and resistance diagnosis by real-time monitoring of parasite motility. PLoS Negl Trop Dis. 2010;4:e885. doi:10.1371/journal.pntd.0000885.
    • (2010) PLoS Negl Trop Dis , vol.4 , pp. e885
    • Smout, M.J.1    Kotze, A.C.2    McCarthy, J.S.3
  • 26
    • 84938693292 scopus 로고    scopus 로고
    • Viability of developmental stages of Schistosoma mansoni quantified with xCELLigence worm real-time motility assay (xWORM)
    • G.Rinaldi, A.Loukas, P.J.Brindley, et al. Viability of developmental stages of Schistosoma mansoni quantified with xCELLigence worm real-time motility assay (xWORM). Int J Parasitol Drugs Drug Resist. 2015;5:141–148. doi:10.1016/j.ijpddr.2015.07.002.
    • (2015) Int J Parasitol Drugs Drug Resist , vol.5 , pp. 141-148
    • Rinaldi, G.1    Loukas, A.2    Brindley, P.J.3
  • 27
    • 84878572284 scopus 로고    scopus 로고
    • Segmenting the etiological agent of schistosomiasis for high-content screening
    • D.E.Asarnow, R.Singh. Segmenting the etiological agent of schistosomiasis for high-content screening. IEEE Trans Med Imaging. 2013;32:1007–1018. doi:10.1109/TMI.2013.2247412.
    • (2013) IEEE Trans Med Imaging , vol.32 , pp. 1007-1018
    • Asarnow, D.E.1    Singh, R.2
  • 28
    • 84928400310 scopus 로고    scopus 로고
    • The QDREC web server: determining dose-response characteristics of complex macroparasites in phenotypic drug screens
    • D.Asarnow, L.Rojo-Arreola, B.M.Suzuki, et al. The QDREC web server: determining dose-response characteristics of complex macroparasites in phenotypic drug screens. Bioinformatics. 2015;31:1515–1518. doi:10.1093/bioinformatics/btu831.
    • (2015) Bioinformatics , vol.31 , pp. 1515-1518
    • Asarnow, D.1    Rojo-Arreola, L.2    Suzuki, B.M.3
  • 29
    • 84864615611 scopus 로고    scopus 로고
    • Whole organism high-content screening by label-free, image-based Bayesian classification for parasitic diseases
    • R.A.Paveley, N.R.Mansour, I.Hallyburton, et al. Whole organism high-content screening by label-free, image-based Bayesian classification for parasitic diseases. PLoS Negl Trop Dis. 2012;6:e1762. doi:10.1371/journal.pntd.0001762.
    • (2012) PLoS Negl Trop Dis , vol.6 , pp. e1762
    • Paveley, R.A.1    Mansour, N.R.2    Hallyburton, I.3
  • 30
    • 84856565313 scopus 로고    scopus 로고
    • WormAssay: a novel computer application for whole-plate motion-based screening of macroscopic parasites
    • C.Marcellino, J.Gut, K.C.Lim, et al. WormAssay: a novel computer application for whole-plate motion-based screening of macroscopic parasites. PLoS Negl Trop Dis. 2012;6:e1494. doi:10.1371/journal.pntd.0001494.• A concise and clear description of three different HCS assays.
    • (2012) PLoS Negl Trop Dis , vol.6 , pp. e1494
    • Marcellino, C.1    Gut, J.2    Lim, K.C.3
  • 31
    • 84952870064 scopus 로고    scopus 로고
    • Fluorescence/luminescence-based markers for the assessment of Schistosoma mansoni schistosomula drug assays
    • G.Panic, D.Flores, K.Ingram-Sieber, et al. Fluorescence/luminescence-based markers for the assessment of Schistosoma mansoni schistosomula drug assays. Parasit Vectors. 2015;8:624. doi:10.1186/s13071-015-1233-3.
    • (2015) Parasit Vectors , vol.8 , pp. 624
    • Panic, G.1    Flores, D.2    Ingram-Sieber, K.3
  • 32
    • 78149266039 scopus 로고    scopus 로고
    • Comparison of microscopy and Alamar blue reduction in a larval based assay for schistosome drug screening
    • N.R.Mansour, Q.D.Bickle. Comparison of microscopy and Alamar blue reduction in a larval based assay for schistosome drug screening. PLoS Negl Trop Dis. 2010;4:e795. doi:10.1371/journal.pntd.0000795.
    • (2010) PLoS Negl Trop Dis , vol.4 , pp. e795
    • Mansour, N.R.1    Bickle, Q.D.2
  • 33
    • 84864664146 scopus 로고    scopus 로고
    • Development of an in vitro drug screening assay using Schistosoma haematobium schistosomula
    • M.Marxer, K.Ingram, J.Keiser. Development of an in vitro drug screening assay using Schistosoma haematobium schistosomula. Parasit Vectors. 2012;5:165. doi:10.1186/1756-3305-5-123.
    • (2012) Parasit Vectors , vol.5 , pp. 165
    • Marxer, M.1    Ingram, K.2    Keiser, J.3
  • 34
    • 77957914128 scopus 로고    scopus 로고
    • Development and validation of a quantitative, high-throughput, fluorescent-based bioassay to detect schistosoma viability
    • E.Peak, I.W.Chalmers, K.F.Hoffmann. Development and validation of a quantitative, high-throughput, fluorescent-based bioassay to detect schistosoma viability. PLoS Negl Trop Dis. 2010;4:e759. doi:10.1371/journal.pntd.0000759.
    • (2010) PLoS Negl Trop Dis , vol.4 , pp. e759
    • Peak, E.1    Chalmers, I.W.2    Hoffmann, K.F.3
  • 35
    • 84921768022 scopus 로고    scopus 로고
    • Lactate as a novel quantitative measure of viability in Schistosoma mansoni drug sensitivity assays
    • S.Howe, D.Zöphel, H.Subbaraman, et al. Lactate as a novel quantitative measure of viability in Schistosoma mansoni drug sensitivity assays. Antimicrob Agents Chemother. 2015;59:1193–1199. doi:10.1128/AAC.03809-14.
    • (2015) Antimicrob Agents Chemother , vol.59 , pp. 1193-1199
    • Howe, S.1    Zöphel, D.2    Subbaraman, H.3
  • 36
    • 84922241656 scopus 로고    scopus 로고
    • Development and validation of a luminescence-based, medium-throughput assay for drug screening in Schistosoma mansoni
    • C.Lalli, A.Guidi, N.Gennari, et al. Development and validation of a luminescence-based, medium-throughput assay for drug screening in Schistosoma mansoni. PLoS Negl Trop Dis. 2015;9:e0003484. doi:10.1371/journal.pntd.0003484.• A concise and clear description of several fluorescence/luminescence-based assays.
    • (2015) PLoS Negl Trop Dis , vol.9 , pp. e0003484
    • Lalli, C.1    Guidi, A.2    Gennari, N.3
  • 37
    • 84925343037 scopus 로고    scopus 로고
    • Maximizing computational tools for successful drug discovery
    • C.Nantasenamat, V.Prachayasittikul. Maximizing computational tools for successful drug discovery. Expert Opin Drug Discov. 2015;10:321–329. doi:10.1517/17460441.2015.1016497.
    • (2015) Expert Opin Drug Discov , vol.10 , pp. 321-329
    • Nantasenamat, C.1    Prachayasittikul, V.2
  • 38
    • 84861400021 scopus 로고    scopus 로고
    • PubChem’s BioAssay database
    • Y.Wang, J.Xiao, T.O.Suzek, et al. PubChem’s BioAssay database. Nucleic Acids Res. 2012;40:D400–D412. doi:10.1093/nar/gkr1132.
    • (2012) Nucleic Acids Res , vol.40 , pp. D400-D412
    • Wang, Y.1    Xiao, J.2    Suzek, T.O.3
  • 39
    • 33846108633 scopus 로고    scopus 로고
    • BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
    • T.Liu, Y.Lin, X.Wen, et al. BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities. Nucleic Acids Res. 2007;35:D198–D201. doi:10.1093/nar/gkl999.
    • (2007) Nucleic Acids Res , vol.35 , pp. D198-D201
    • Liu, T.1    Lin, Y.2    Wen, X.3
  • 40
    • 84862192766 scopus 로고    scopus 로고
    • ChEMBL: a large-scale bioactivity database for drug discovery
    • A.Gaulton, L.J.Bellis, A.P.Bento, et al. ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 2012;40:D1100–D1107. doi:10.1093/nar/gkr777.
    • (2012) Nucleic Acids Res , vol.40 , pp. D1100-D1107
    • Gaulton, A.1    Bellis, L.J.2    Bento, A.P.3
  • 41
    • 84896969286 scopus 로고    scopus 로고
    • Exploiting open data: a new era in pharmacoinformatics
    • D.Goldmann, F.Montanari, L.Richter, et al. Exploiting open data: a new era in pharmacoinformatics. Future Med Chem. 2014;6:503–514. doi:10.4155/fmc.14.13.• Importance of open data in drug discovery.
    • (2014) Future Med Chem , vol.6 , pp. 503-514
    • Goldmann, D.1    Montanari, F.2    Richter, L.3
  • 42
    • 84942097821 scopus 로고    scopus 로고
    • Role of open source tools and resources in virtual screening for drug discovery
    • M.Karthikeyan, R.Vyas. Role of open source tools and resources in virtual screening for drug discovery. Comb Chem High Throughput Screen. 2015;18:528–543. doi:10.2174/1386207318666150703111911.
    • (2015) Comb Chem High Throughput Screen , vol.18 , pp. 528-543
    • Karthikeyan, M.1    Vyas, R.2
  • 43
    • 84875150414 scopus 로고    scopus 로고
    • The holistic integration of virtual screening in drug discovery
    • Y.Tanrikulu, B.Krüger, E.Proschak. The holistic integration of virtual screening in drug discovery. Drug Discov Today. 2013;18:358–364. doi:10.1016/j.drudis.2013.01.007.
    • (2013) Drug Discov Today , vol.18 , pp. 358-364
    • Tanrikulu, Y.1    Krüger, B.2    Proschak, E.3
  • 44
    • 84874298502 scopus 로고    scopus 로고
    • How far can virtual screening take us in drug discovery?
    • S.Kar, K.Roy. How far can virtual screening take us in drug discovery? Expert Opin Drug Discov. 2013;8:245–261. doi:10.1517/17460441.2013.761204.
    • (2013) Expert Opin Drug Discov , vol.8 , pp. 245-261
    • Kar, S.1    Roy, K.2
  • 45
    • 84884237765 scopus 로고    scopus 로고
    • Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis
    • T.Zhu, S.Cao, P.-C.Su, et al. Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis. J Med Chem. 2013;56:6560–6572. doi:10.1021/jm301916b.
    • (2013) J Med Chem , vol.56 , pp. 6560-6572
    • Zhu, T.1    Cao, S.2    Su, P.-C.3
  • 46
    • 84908251020 scopus 로고    scopus 로고
    • Discovery of inhibitors of Schistosoma mansoni HDAC8 by combining homology modeling, virtual screening, and in vitro validation
    • S.Kannan, J.Melesina, A.-T.Hauser, et al. Discovery of inhibitors of Schistosoma mansoni HDAC8 by combining homology modeling, virtual screening, and in vitro validation. J Chem Inf Model. 2014;54:3005–3019. doi:10.1021/ci5004653.
    • (2014) J Chem Inf Model , vol.54 , pp. 3005-3019
    • Kannan, S.1    Melesina, J.2    Hauser, A.-T.3
  • 47
    • 84878747400 scopus 로고    scopus 로고
    • 3-oxoacyl-ACP reductase from Schistosoma japonicum: integrated in silico-in vitro strategy for discovering antischistosomal lead compounds
    • J.Liu, D.Dyer, J.Wang, et al. 3-oxoacyl-ACP reductase from Schistosoma japonicum: integrated in silico-in vitro strategy for discovering antischistosomal lead compounds. PLoS One. 2013;8:e64984. doi:10.1371/journal.pone.0064984.
    • (2013) PLoS One , vol.8 , pp. e64984
    • Liu, J.1    Dyer, D.2    Wang, J.3
  • 48
    • 84878432195 scopus 로고    scopus 로고
    • Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds
    • J.Liu, D.H.Dyer, J.Cheng, et al. Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds. Parasit Vectors. 2013;6:1–10. doi:10.1186/1756-3305-6-162.
    • (2013) Parasit Vectors , vol.6 , pp. 1-10
    • Liu, J.1    Dyer, D.H.2    Cheng, J.3
  • 49
    • 77957235318 scopus 로고    scopus 로고
    • Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening
    • M.P.Postigo, R.V.C.Guido, G.Oliva, et al. Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening. J Chem Inf Model. 2010;50:1693–1705. doi:10.1021/ci100128k.
    • (2010) J Chem Inf Model , vol.50 , pp. 1693-1705
    • Postigo, M.P.1    Guido, R.V.C.2    Oliva, G.3
  • 51
    • 84929752832 scopus 로고    scopus 로고
    • Target-based molecular modeling strategies for schistosomiasis drug discovery
    • L.G.Ferreira, G.Oliva, A.D.Andricopulo. Target-based molecular modeling strategies for schistosomiasis drug discovery. Future Med Chem. 2015;7:753–764. doi:10.4155/fmc.15.21.
    • (2015) Future Med Chem , vol.7 , pp. 753-764
    • Ferreira, L.G.1    Oliva, G.2    Andricopulo, A.D.3
  • 52
    • 84911401229 scopus 로고    scopus 로고
    • Structure-based virtual screening for drug discovery: principles, applications and recent advances
    • E.Lionta, G.Spyrou, D.K.Vassilatis, et al. Structure-based virtual screening for drug discovery: principles, applications and recent advances. Curr Top Med Chem. 2014;14:1923–1938. doi:10.2174/1568026614666140929124445.
    • (2014) Curr Top Med Chem , vol.14 , pp. 1923-1938
    • Lionta, E.1    Spyrou, G.2    Vassilatis, D.K.3
  • 53
    • 84946045336 scopus 로고    scopus 로고
    • The RCSB Protein Data Bank: views of structural biology for basic and applied research and education
    • P.W.Rose, A.Prlić, C.Bi, et al. The RCSB Protein Data Bank: views of structural biology for basic and applied research and education. Nucleic Acids Res. 2015;43:D345–D356. doi:10.1093/nar/gku1214.
    • (2015) Nucleic Acids Res , vol.43 , pp. D345-D356
    • Rose, P.W.1    Prlić, A.2    Bi, C.3
  • 54
    • 84938316204 scopus 로고    scopus 로고
    • Molecular docking and structure-based drug design strategies
    • L.Ferreira, R.dos Santos, G.Oliva, et al. Molecular docking and structure-based drug design strategies. Molecules. 2015;20:13384–13421. doi:10.3390/molecules200713384.
    • (2015) Molecules , vol.20 , pp. 13384-13421
    • Ferreira, L.1    dos Santos, R.2    Oliva, G.3
  • 55
    • 84940720324 scopus 로고    scopus 로고
    • Receptor-based virtual screening protocol for drug discovery
    • N.M.F.S.A.Cerqueira, D.Gesto, E.F.Oliveira, et al. Receptor-based virtual screening protocol for drug discovery. Arch Biochem Biophys. 2015;582:56–67. doi:10.1016/j.abb.2015.05.011.
    • (2015) Arch Biochem Biophys , vol.582 , pp. 56-67
    • Cerqueira, N.M.F.S.A.1    Gesto, D.2    Oliveira, E.F.3
  • 56
    • 84878782605 scopus 로고    scopus 로고
    • Methods and applications of structure based pharmacophores in drug discovery
    • S.Pirhadi, F.Shiri, J.B.Ghasemi. Methods and applications of structure based pharmacophores in drug discovery. Curr Top Med Chem. 2013;13:1036–1047. doi:10.2174/1568026611313090006.
    • (2013) Curr Top Med Chem , vol.13 , pp. 1036-1047
    • Pirhadi, S.1    Shiri, F.2    Ghasemi, J.B.3
  • 57
    • 79957946803 scopus 로고    scopus 로고
    • Pharmacophore modelling: a forty year old approach and its modern synergies
    • F.Caporuscio, A.Tafi. Pharmacophore modelling: a forty year old approach and its modern synergies. Curr Med Chem. 2011;18:2543–2553. doi:10.2174/092986711795933669.
    • (2011) Curr Med Chem , vol.18 , pp. 2543-2553
    • Caporuscio, F.1    Tafi, A.2
  • 58
    • 84913529807 scopus 로고    scopus 로고
    • Recent approaches to chemical discovery and development against malaria and the neglected tropical diseases human african trypanosomiasis and schistosomiasis
    • M.Njoroge, N.M.Njuguna, P.Mutai, et al. Recent approaches to chemical discovery and development against malaria and the neglected tropical diseases human african trypanosomiasis and schistosomiasis. Chem Rev. 2014;114:11138–11163. doi:10.1021/cr500098f.
    • (2014) Chem Rev , vol.114 , pp. 11138-11163
    • Njoroge, M.1    Njuguna, N.M.2    Mutai, P.3
  • 59
    • 84922256583 scopus 로고    scopus 로고
    • In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni
    • B.J.Neves, R.C.Braga, J.C.B.Bezerra, et al. In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni. PLoS Negl Trop Dis. 2015;9:e3435. doi:10.1371/journal.pntd.0003435.•• Example of state-of-the-art strategy for drug repurposing.
    • (2015) PLoS Negl Trop Dis , vol.9 , pp. e3435
    • Neves, B.J.1    Braga, R.C.2    Bezerra, J.C.B.3
  • 60
    • 79956024935 scopus 로고    scopus 로고
    • State-of-the-art in ligand-based virtual screening
    • P.Ripphausen, B.Nisius, J.Bajorath. State-of-the-art in ligand-based virtual screening. Drug Discov Today. 2011;16:372–376. doi:10.1016/j.drudis.2011.02.011.
    • (2011) Drug Discov Today , vol.16 , pp. 372-376
    • Ripphausen, P.1    Nisius, B.2    Bajorath, J.3
  • 61
    • 84957436465 scopus 로고    scopus 로고
    • An overview of molecular fingerprint similarity search in virtual screening
    • I.Muegge, P.Mukherjee. An overview of molecular fingerprint similarity search in virtual screening. Expert Opin Drug Discov. 2015;11:1–12 doi:10.1517/17460441.2016.1117070.
    • (2015) Expert Opin Drug Discov , vol.11 , pp. 1-12
    • Muegge, I.1    Mukherjee, P.2
  • 62
    • 84927730179 scopus 로고    scopus 로고
    • Molecular fingerprint similarity search in virtual screening
    • A.Cereto-Massagué, M.J.Ojeda, C.Valls, et al. Molecular fingerprint similarity search in virtual screening. Methods. 2015;71:58–63. doi:10.1016/j.ymeth.2014.08.005.
    • (2015) Methods , vol.71 , pp. 58-63
    • Cereto-Massagué, A.1    Ojeda, M.J.2    Valls, C.3
  • 63
    • 84927745229 scopus 로고    scopus 로고
    • Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling
    • A.Vuorinen, D.Schuster. Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling. Methods. 2015;71:113–134. doi:10.1016/j.ymeth.2014.10.013.
    • (2015) Methods , vol.71 , pp. 113-134
    • Vuorinen, A.1    Schuster, D.2
  • 64
    • 84906788164 scopus 로고    scopus 로고
    • Shape-based virtual screening with volumetric aligned molecular shapes
    • D.R.Koes, C.J.Camacho. Shape-based virtual screening with volumetric aligned molecular shapes. J Comput Chem. 2014;35:1824–1834. doi:10.1002/jcc.v35.25.
    • (2014) J Comput Chem , vol.35 , pp. 1824-1834
    • Koes, D.R.1    Camacho, C.J.2
  • 65
    • 61349117968 scopus 로고    scopus 로고
    • The importance of discerning shape in molecular pharmacology
    • S.Kortagere, M.D.Krasowski, S.Ekins. The importance of discerning shape in molecular pharmacology. Trends Pharmacol Sci. 2009;30:138–147. doi:10.1016/j.tips.2008.12.001.
    • (2009) Trends Pharmacol Sci , vol.30 , pp. 138-147
    • Kortagere, S.1    Krasowski, M.D.2    Ekins, S.3
  • 66
    • 84870463721 scopus 로고    scopus 로고
    • Recent trends and applications in 3D virtual screening
    • L.Ghemtio, V.I.Perez-Nueno, V.Leroux, et al. Recent trends and applications in 3D virtual screening. Comb Chem High Throughput Screen. 2012;15:749–769. doi:10.2174/138620712803519707.
    • (2012) Comb Chem High Throughput Screen , vol.15 , pp. 749-769
    • Ghemtio, L.1    Perez-Nueno, V.I.2    Leroux, V.3
  • 67
    • 84899881824 scopus 로고    scopus 로고
    • QSAR modeling: where have you been? Where are you going to?
    • A.Cherkasov, E.N.Muratov, D.Fourches, et al. QSAR modeling: where have you been? Where are you going to? J Med Chem. 2014;57:4977–5010. doi:10.1021/jm401509e.• Perspectives of QSAR evolution.
    • (2014) J Med Chem , vol.57 , pp. 4977-5010
    • Cherkasov, A.1    Muratov, E.N.2    Fourches, D.3
  • 68
    • 0035478854 scopus 로고    scopus 로고
    • Random forests
    • L.Breiman. Random forests. Mach Learn. 2001;45:5–32. doi:10.1023/A:1010933404324.
    • (2001) Mach Learn , vol.45 , pp. 5-32
    • Breiman, L.1
  • 70
    • 77954700753 scopus 로고    scopus 로고
    • Per aspera ad astra: application of Simplex QSAR approach in antiviral research
    • E.N.Muratov, A.G.Artemenko, E.V.Varlamova, et al. Per aspera ad astra: application of Simplex QSAR approach in antiviral research. Future Med Chem. 2010;2:1205–1226. doi:10.4155/fmc.10.194.
    • (2010) Future Med Chem , vol.2 , pp. 1205-1226
    • Muratov, E.N.1    Artemenko, A.G.2    Varlamova, E.V.3
  • 71
    • 68749093790 scopus 로고    scopus 로고
    • Histone deacetylase inhibitors induce apoptosis, histone hyperacetylation and up-regulation of gene transcription in Schistosoma mansoni
    • F.Dubois, S.Caby, F.Oger, et al. Histone deacetylase inhibitors induce apoptosis, histone hyperacetylation and up-regulation of gene transcription in Schistosoma mansoni. Mol Biochem Parasitol. 2009;168:7–15. doi:10.1016/j.molbiopara.2009.06.001.
    • (2009) Mol Biochem Parasitol , vol.168 , pp. 7-15
    • Dubois, F.1    Caby, S.2    Oger, F.3
  • 72
    • 84884685624 scopus 로고    scopus 로고
    • Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoni
    • M.Marek, S.Kannan, A.-T.Hauser, et al. Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoni. PLoS Pathog. 2013;9:e1003645. doi:10.1371/journal.ppat.1003645.
    • (2013) PLoS Pathog , vol.9 , pp. e1003645
    • Marek, M.1    Kannan, S.2    Hauser, A.-T.3
  • 73
    • 84862027743 scopus 로고    scopus 로고
    • Recognizing pitfalls in virtual screening: a critical review
    • T.Scior, A.Bender, G.Tresadern, et al. Recognizing pitfalls in virtual screening: a critical review. J Chem Inf Model. 2012;52:867–881. doi:10.1021/ci200321u.• A concise description of problems, shortcomings, failures, and technical traps of VS methods.
    • (2012) J Chem Inf Model , vol.52 , pp. 867-881
    • Scior, T.1    Bender, A.2    Tresadern, G.3
  • 74
    • 84903739566 scopus 로고    scopus 로고
    • Virtual screening strategies in medicinal chemistry: the state of the art and current challenges
    • R.C.Braga, V.M.Alves, A.C.Silva, et al. Virtual screening strategies in medicinal chemistry: the state of the art and current challenges. Curr Top Med Chem. 2014;14:1899–1912. doi:10.2174/1568026614666140929120749.•• State-of-the-art, challenges, and perspectives of VS strategies in medicinal chemistry.
    • (2014) Curr Top Med Chem , vol.14 , pp. 1899-1912
    • Braga, R.C.1    Alves, V.M.2    Silva, A.C.3
  • 75
    • 80052841737 scopus 로고    scopus 로고
    • A quality alert and call for improved curation of public chemistry databases
    • A.J.Williams, S.Ekins. A quality alert and call for improved curation of public chemistry databases. Drug Discov Today. 2011;16:747–750. doi:10.1016/j.drudis.2011.07.007.
    • (2011) Drug Discov Today , vol.16 , pp. 747-750
    • Williams, A.J.1    Ekins, S.2
  • 76
    • 78049349961 scopus 로고    scopus 로고
    • Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research
    • D.Fourches, E.Muratov, A.Tropsha. Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research. J Chem Inf Model. 2010;50:1189–1204. doi:10.1021/ci100176x.• Handbook of chemical data curation.
    • (2010) J Chem Inf Model , vol.50 , pp. 1189-1204
    • Fourches, D.1    Muratov, E.2    Tropsha, A.3
  • 77
    • 84937396182 scopus 로고    scopus 로고
    • Curation of chemogenomics data
    • D.Fourches, E.Muratov, A.Tropsha. Curation of chemogenomics data. Nat Chem Biol. 2015;11:535. doi:10.1038/nchembio.1881.
    • (2015) Nat Chem Biol , vol.11 , pp. 535
    • Fourches, D.1    Muratov, E.2    Tropsha, A.3
  • 78
    • 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
    • J.B.Baell, G.A.Holloway. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. J Med Chem. 2010;53:2719–2740. doi:10.1021/jm901137j.•• Importance of PAINS in drug discovery.
    • (2010) J Med Chem , vol.53 , pp. 2719-2740
    • Baell, J.B.1    Holloway, G.A.2
  • 79
    • 84876551083 scopus 로고    scopus 로고
    • Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods
    • C.-Y.Chang, M.-T.Hsu, E.X.Esposito, et al. Oversampling to overcome overfitting: exploring the relationship between data set composition, molecular descriptors, and predictive modeling methods. J Chem Inf Model. 2013;53:958–971. doi:10.1021/ci4000536.
    • (2013) J Chem Inf Model , vol.53 , pp. 958-971
    • Chang, C.-Y.1    Hsu, M.-T.2    Esposito, E.X.3
  • 80
    • 84896922331 scopus 로고    scopus 로고
    • QSAR modeling of imbalanced high-throughput screening data in PubChem
    • A.V.Zakharov, M.L.Peach, M.Sitzmann, et al. QSAR modeling of imbalanced high-throughput screening data in PubChem. J Chem Inf Model. 2014;54:705–712. doi:10.1021/ci400737s.
    • (2014) J Chem Inf Model , vol.54 , pp. 705-712
    • Zakharov, A.V.1    Peach, M.L.2    Sitzmann, M.3
  • 81
    • 75149183709 scopus 로고    scopus 로고
    • Virtual screening of bioassay data
    • A.C.Schierz. Virtual screening of bioassay data. J Cheminform. 2009;1:21. doi:10.1186/1758-2946-1-21.
    • (2009) J Cheminform , vol.1 , pp. 21
    • Schierz, A.C.1
  • 82
    • 33750991346 scopus 로고    scopus 로고
    • Benchmarking sets for molecular docking
    • N.Huang, B.K.Shoichet, J.J.Irwin. Benchmarking sets for molecular docking. J Med Chem. 2006;49:6789–6801. doi:10.1021/jm0600592.•• Overview of docking approaches.
    • (2006) J Med Chem , vol.49 , pp. 6789-6801
    • Huang, N.1    Shoichet, B.K.2    Irwin, J.J.3
  • 83
    • 73349107775 scopus 로고    scopus 로고
    • The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening
    • T.Kalliokoski, H.S.Salo, M.Lahtela-Kakkonen, et al. The effect of ligand-based tautomer and protomer prediction on structure-based virtual screening. J Chem Inf Model. 2009;49:2742–2748. doi:10.1021/ci900364w.
    • (2009) J Chem Inf Model , vol.49 , pp. 2742-2748
    • Kalliokoski, T.1    Salo, H.S.2    Lahtela-Kakkonen, M.3
  • 84
    • 78649893079 scopus 로고    scopus 로고
    • Accommodating protein flexibility for structure-based drug design
    • J.-H.Lin. Accommodating protein flexibility for structure-based drug design. Curr Top Med Chem. 2011;11:171–178. doi:10.2174/156802611794863580.
    • (2011) Curr Top Med Chem , vol.11 , pp. 171-178
    • Lin, J.-H.1
  • 85
    • 78149495374 scopus 로고    scopus 로고
    • Molecular dynamics simulations of protein dynamics and their relevance to drug discovery
    • F.R.Salsbury. Molecular dynamics simulations of protein dynamics and their relevance to drug discovery. Curr Opin Pharmacol. 2010;10:738–744. doi:10.1016/j.coph.2010.09.016.
    • (2010) Curr Opin Pharmacol , vol.10 , pp. 738-744
    • Salsbury, F.R.1
  • 86
    • 84857446182 scopus 로고    scopus 로고
    • The future of molecular dynamics simulations in drug discovery
    • D.W.Borhani, D.E.Shaw. The future of molecular dynamics simulations in drug discovery. J Comput Aided Mol Des. 2012;26:15–26. doi:10.1007/s10822-011-9517-y.
    • (2012) J Comput Aided Mol Des , vol.26 , pp. 15-26
    • Borhani, D.W.1    Shaw, D.E.2
  • 87
    • 84942515430 scopus 로고    scopus 로고
    • Protein flexibility in docking-based virtual screening: discovery of novel lymphoid-specific tyrosine phosphatase inhibitors using multiple crystal structures
    • X.Hou, K.Li, X.Yu, et al. Protein flexibility in docking-based virtual screening: discovery of novel lymphoid-specific tyrosine phosphatase inhibitors using multiple crystal structures. J Chem Inf Model. 2015;55:1973–1983. doi:10.1021/acs.jcim.5b00344.
    • (2015) J Chem Inf Model , vol.55 , pp. 1973-1983
    • Hou, X.1    Li, K.2    Yu, X.3
  • 88
    • 79959780557 scopus 로고    scopus 로고
    • Software and resources for computational medicinal chemistry
    • C.Liao, M.Sitzmann, A.Pugliese, et al. Software and resources for computational medicinal chemistry. Future Med Chem. 2011;3:1057–1085. doi:10.4155/fmc.11.63.
    • (2011) Future Med Chem , vol.3 , pp. 1057-1085
    • Liao, C.1    Sitzmann, M.2    Pugliese, A.3
  • 89
    • 84879224111 scopus 로고    scopus 로고
    • Induced fit docking, and the use of QM/MM methods in docking
    • M.Xu, M.A.Lill. Induced fit docking, and the use of QM/MM methods in docking. Drug Discov Today Technol. 2013;10:e411–e418. doi:10.1016/j.ddtec.2013.02.003.
    • (2013) Drug Discov Today Technol , vol.10
    • Xu, M.1    Lill, M.A.2
  • 90
    • 84878798892 scopus 로고    scopus 로고
    • Assessing the performance of 3D pharmacophore models in virtual screening: how good are they?
    • R.C.Braga, C.H.Andrade. Assessing the performance of 3D pharmacophore models in virtual screening: how good are they? Curr Top Med Chem. 2013;13:1127–1138. doi:10.2174/1568026611313090010.
    • (2013) Curr Top Med Chem , vol.13 , pp. 1127-1138
    • Braga, R.C.1    Andrade, C.H.2
  • 91
    • 77956964002 scopus 로고    scopus 로고
    • Best practices for QSAR model development, validation, and exploitation
    • A.Tropsha. Best practices for QSAR model development, validation, and exploitation. Mol Inform. 2010;29:476–488. doi:10.1002/minf.201000061.
    • (2010) Mol Inform , vol.29 , pp. 476-488
    • Tropsha, A.1
  • 92
    • 0037364162 scopus 로고    scopus 로고
    • ADMET in silico modelling: towards prediction paradise?
    • H.van de Waterbeemd, E.Gifford. ADMET in silico modelling: towards prediction paradise? Nat Rev Drug Discov. 2003;2:192–204. doi:10.1038/nrd1032.
    • (2003) Nat Rev Drug Discov , vol.2 , pp. 192-204
    • van de Waterbeemd, H.1    Gifford, E.2
  • 93
    • 84944175922 scopus 로고    scopus 로고
    • Pred-hERG: a novel web-accessible computational tool for predicting cardiac toxicity
    • R.C.Braga, V.M.Alves, M.F.B.Silva, et al. Pred-hERG: a novel web-accessible computational tool for predicting cardiac toxicity. Mol Inform. 2015;34:698–701. doi:10.1002/minf.201500040.
    • (2015) Mol Inform , vol.34 , pp. 698-701
    • Braga, R.C.1    Alves, V.M.2    Silva, M.F.B.3
  • 94
    • 84929366158 scopus 로고    scopus 로고
    • Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
    • V.M.Alves, E.Muratov, D.Fourches, et al. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds. Toxicol Appl Pharmacol. 2015;284:262–272. doi:10.1016/j.taap.2014.12.014.
    • (2015) Toxicol Appl Pharmacol , vol.284 , pp. 262-272
    • Alves, V.M.1    Muratov, E.2    Fourches, D.3
  • 95
    • 84871848412 scopus 로고    scopus 로고
    • London: Royal Society of Chemistry
    • H.Kubinyi. The changing landscape in drug discovery. In: Stroud RM, editor. Computational approaches to structure baseddrug design. London: Royal Society of Chemistry; 2007. p. 24–45.
    • (2007) The changing landscape in drug discovery
    • Kubinyi, H.1
  • 96
    • 84879242302 scopus 로고    scopus 로고
    • Combination of ligand- and structure-based methods in virtual screening
    • M.N.Drwal, R.Griffith. Combination of ligand- and structure-based methods in virtual screening. Drug Discov Today Technol. 2013;10:e395–e401. doi:10.1016/j.ddtec.2013.02.002.
    • (2013) Drug Discov Today Technol , vol.10
    • Drwal, M.N.1    Griffith, R.2
  • 97
    • 84880256452 scopus 로고    scopus 로고
    • Virtual screening strategies in drug discovery: a critical review
    • A.Lavecchia, C.Di Giovanni. Virtual screening strategies in drug discovery: a critical review. Curr Med Chem. 2013;20:2839–2860. doi:10.2174/09298673113209990001.
    • (2013) Curr Med Chem , vol.20 , pp. 2839-2860
    • Lavecchia, A.1    Di Giovanni, C.2
  • 98
    • 84954529706 scopus 로고    scopus 로고
    • New vaccines for the world’s poorest people
    • P.J.Hotez, M.E.Bottazzi, U.Strych. New vaccines for the world’s poorest people. Annu Rev Med. 2016;67:405–417. doi:10.1146/annurev-med-051214-024241.
    • (2016) Annu Rev Med , vol.67 , pp. 405-417
    • Hotez, P.J.1    Bottazzi, M.E.2    Strych, U.3
  • 99
    • 84859899707 scopus 로고    scopus 로고
    • Existing and developing approaches for QSAR analysis of mixtures
    • E.N.Muratov, E.V.Varlamova, A.G.Artemenko, et al. Existing and developing approaches for QSAR analysis of mixtures. Mol Inform. 2012;31:202–221. doi:10.1002/minf.201100129.
    • (2012) Mol Inform , vol.31 , pp. 202-221
    • Muratov, E.N.1    Varlamova, E.V.2    Artemenko, A.G.3
  • 100
    • 84969226954 scopus 로고    scopus 로고
    • Available from:, Mar
    • Uniting to Combat NTDs. The London Declaration [Internet]; [cited 2016 Mar16]. Available from: http://unitingtocombatntds.org/resource/london-declaration
    • The London Declaration [Internet]


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.