메뉴 건너뛰기




Volumn 3, Issue 8, 2011, Pages 1011-1025

Drug discovery and the use of computational approaches for infectious diseases

Author keywords

[No Author keywords available]

Indexed keywords

ANTIPARASITIC AGENT;

EID: 79959807075     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.11.60     Document Type: Review
Times cited : (14)

References (99)
  • 4
    • 0037033984 scopus 로고    scopus 로고
    • The economic and social burden of malaria
    • DOI 10.1038/415680a
    • Sachs J, Malaney P. The economic and social burden of malaria. Nature 415, 680-685 (2002 (Pubitemid 34136401)
    • (2002) Nature , vol.415 , Issue.6872 , pp. 680-685
    • Sachs, J.1    Malaney, P.2
  • 5
    • 33751080094 scopus 로고    scopus 로고
    • Drug discovery and development for neglected parasitic diseases
    • DOI 10.1038/nchembio837, PII NCHEMBIO837
    • Renslo AR, McKerrow JH. Drug discovery and development for neglected parasitic diseases. Nat. Chem. Biol. 2, 701-710 (2006 (Pubitemid 44764212)
    • (2006) Nature Chemical Biology , vol.2 , Issue.12 , pp. 701-710
    • Renslo, A.R.1    McKerrow, J.H.2
  • 8
    • 0001946688 scopus 로고    scopus 로고
    • Selective inhibitors of cyclooxygenase-2: A growing class of anti-inflammatory drugs
    • Mardini IA, FitzGerald GA. Selective inhibitors of cyclooxygenase-2: a growing class of anti-inflammatory drugs. Mol. Interv. 1(1), 30-38 (2001
    • (2001) Mol. Interv. , vol.1 , Issue.1 , pp. 30-38
    • Mardini, I.A.1    FitzGerald, G.A.2
  • 9
    • 0036560261 scopus 로고    scopus 로고
    • Current application of selective COX-2 inhibitors in cancer prevention and treatment
    • Williston Park NY 5 Suppl. 4
    • Stratton MS, Alberts DS. Current application of selective COX-2 inhibitors in cancer prevention and treatment. Oncology (Williston Park, NY) 16(5 Suppl. 4), 37-51 (2002
    • (2002) Oncology , vol.16 , pp. 37-51
    • Stratton, M.S.1    Alberts, D.S.2
  • 12
    • 0033107513 scopus 로고    scopus 로고
    • New anti-HIV drugs in development
    • Highleyman L. New anti-HIV drugs in development. BETA 12(2), 7-8 (1999
    • (1999) BETA , vol.12 , Issue.2 , pp. 7-8
    • Highleyman, L.1
  • 13
    • 35348829315 scopus 로고    scopus 로고
    • Darunavir, a conceptually new HIV-1 protease inhibitor for the treatment of drug-resistant HIV
    • DOI 10.1016/j.bmc.2007.09.010, PII S0968089607007833
    • Ghosh AK, Dawson ZL, Mitsuya H. Darunavir, a conceptually new HIV-1 protease inhibitor for the treatment of drug-resistant HIV. Bioorg. Med. Chem. 15(24), 7576-7580 (2007 (Pubitemid 47575929)
    • (2007) Bioorganic and Medicinal Chemistry , vol.15 , Issue.24 , pp. 7576-7580
    • Ghosh, A.K.1    Dawson, Z.L.2    Mitsuya, H.3
  • 14
    • 33749008221 scopus 로고    scopus 로고
    • Bis-tetrahydrofuran: A privileged ligand for darunavir and a new generation of HIV protease inhibitors that combat drug resistance
    • DOI 10.1002/cmdc.200600103
    • Ghosh AK, Ramu SP, Kumaragurubaran N, Koh Y, Weber IT, Mitsuya H. Bis-tetrahydrofuran: a privileged ligand for darunavir and a new generation of HIV protease inhibitors that combat drug resistance. ChemMedChem 1(9), 939-950 (2006 (Pubitemid 44448791)
    • (2006) ChemMedChem , vol.1 , Issue.9 , pp. 939-950
    • Ghosh, A.K.1    Sridhar, P.R.2    Kumaragurubaran, N.3    Koh, Y.4    Weber, I.T.5    Mitsuya, H.6
  • 15
    • 33746301158 scopus 로고    scopus 로고
    • Unexpected novel binding mode of pyrrolidine-based aspartyl protease inhibitors: Design, synthesis and crystal structure in complex with HIV protease
    • DOI 10.1002/cmdc.200500008
    • Specker E, Bottcher J, Brass S et al. Unexpected novel binding mode of pyrrolidine-based aspartyl protease inhibitors: design, synthesis and crystal structure in complex with HIV protease. ChemMedChem 1(1), 106-117 (2006 (Pubitemid 44104983)
    • (2006) ChemMedChem , vol.1 , Issue.1 , pp. 106-117
    • Specker, E.1    Bottcher, J.2    Brass, S.3    Heine, A.4    Lilie, H.5    Schoop, A.6    Muller, G.7    Griebenow, N.8    Klebe, G.9
  • 18
    • 0024992935 scopus 로고
    • Design activity and 2 8 Å crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease
    • Erickson J, Neidhart DJ, VanDrie J et al. Design, activity, and 2.8 Å crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease. Science 249(4968), 527-533 (1990
    • (1990) Science , vol.249 , Issue.4968 , pp. 527-533
    • Erickson, J.1    Neidhart, D.J.2    VanDrie, J.3
  • 19
    • 0025268321 scopus 로고
    • Rational design of peptide-based HIV proteinase inhibitors
    • Roberts NA, Martin JA, Kinchington D et al. Rational design of peptide-based HIV proteinase inhibitors. Science 248(4953), 358-361 (1990
    • (1990) Science , vol.248 , Issue.4953 , pp. 358-361
    • Roberts, N.A.1    Martin, J.A.2    Kinchington, D.3
  • 20
    • 33750282679 scopus 로고    scopus 로고
    • Modern methods of drug discovery: An introduction
    • Hillisch A Hilgenfeld R EdsBirkhäuser Verlag Basel Switzerland
    • Giersiefen H, Hilgenfeld R, Hillisch A. Modern methods of drug discovery: an introduction. In: Modern Methods of Drug Discovery. Hillisch A, Hilgenfeld R (EdsBirkhäuser Verlag, Basel, Switzerland 1-18 (2002
    • (2002) Modern Methods of Drug Discovery , pp. 1-18
    • Giersiefen, H.1    Hilgenfeld, R.2    Hillisch, A.3
  • 23
    • 84887212447 scopus 로고    scopus 로고
    • A comparative chemogenomics strategy to predict potential drug targets in the metazoan pathogen schistosoma mansoni
    • Caffrey CR, Rohwer A, Oellien F et al. A comparative chemogenomics strategy to predict potential drug targets in the metazoan pathogen, Schistosoma mansoni. PLoS One 4(2), e4413 (2009
    • (2009) PLoS One , vol.4 , Issue.2
    • Caffrey, C.R.1    Rohwer, A.2    Oellien, F.3
  • 25
    • 29144531173 scopus 로고    scopus 로고
    • The druggable genome: An update
    • DOI 10.1016/S1359-6446(05)03666-4, PII S1359644605036664
    • Russ AP, Lampel S. The druggable genome: an update. Drug Discov. Today 10(23-24), 1607-1610 (2005 (Pubitemid 41817609)
    • (2005) Drug Discovery Today , vol.10 , Issue.23-24 , pp. 1607-1610
    • Russ, A.P.1    Lampel, S.2
  • 26
    • 79953703975 scopus 로고    scopus 로고
    • Fragment screening to predict druggability ligandability and lead discovery success
    • Edfeldt FN, Breeze AL, Folmer RH. Fragment screening to predict druggability (ligandability) and lead discovery success. Drug Discov. Today (2011
    • (2011) Drug Discov. Today
    • Edfeldt, F.N.1    Breeze, A.L.2    Folmer, R.H.3
  • 27
    • 33846697738 scopus 로고    scopus 로고
    • Schistosomiasis mansoni: Novel chemotherapy using a cysteine protease inhibitor
    • Abdulla MH, Lim KC, Sajid M, KcKerrow JH, Caffrey CR. Schistosomiasis mansoni: novel chemotherapy using a cysteine protease inhibitor. PLoS Medicine 4(1), e14 (2007
    • (2007) PLoS Medicine , vol.4 , Issue.1
    • Abdulla, M.H.1    Lim, K.C.2    Sajid, M.3    KcKerrow, J.H.4    Caffrey, C.R.5
  • 28
    • 0032541311 scopus 로고    scopus 로고
    • Cysteine protease inhibitors cure an experimental Trypanosoma cruzi infection
    • DOI 10.1084/jem.188.4.725
    • Engel JC, Doyle PS, Hsieh I, McKerrow JH. Cysteine protease inhibitors cure an experimental Trypanosoma cruzi infection. J. Exp. Med. 188, 725-734 (1998 (Pubitemid 28387935)
    • (1998) Journal of Experimental Medicine , vol.188 , Issue.4 , pp. 725-734
    • Engel, J.C.1    Doyle, P.S.2    Hsieh, I.3    McKerrow, J.H.4
  • 29
    • 7744237554 scopus 로고    scopus 로고
    • A possible model of benzimidazole binding to β-tubulin disclosed by invoking an inter-domain movement
    • DOI 10.1016/j.jmgm.2004.08.001, PII S1093326304000889
    • Robinson MW, McFerran N, Trudgett A, Hoey L, Fairweather I. A possible model of benzimidazole binding to beta-tubulin disclosed by invoking an inter-domain movement. J. Mol. Graph. Model. 23(3), 275-284 (2004 (Pubitemid 39463106)
    • (2004) Journal of Molecular Graphics and Modelling , vol.23 , Issue.3 , pp. 275-284
    • Robinson, M.W.1    McFerran, N.2    Trudgett, A.3    Hoey, L.4    Fairweather, I.5
  • 31
    • 0030824384 scopus 로고    scopus 로고
    • Alterations in ornithine decarboxylase characteristics account for tolerance of Trypanosoma brucei rhodesiense to D,L-α- difluoromethylornithine
    • Iten M, Mett H, Evans A, Enyaru JC, Brun R, Kaminsky R. Alterations in ornithine decarboxylase characteristics account for tolerance of Trypanosoma brucei rhodesiense to d,l-a-difluoromethylornithine. Antimicrob. Agents Chemother. 41(9), 1922-1925 (1997 (Pubitemid 27383228)
    • (1997) Antimicrobial Agents and Chemotherapy , vol.41 , Issue.9 , pp. 1922-1925
    • Iten, M.1    Mett, H.2    Evans, A.3    Enyaru, J.C.K.4    Brun, R.5    Kaminsky, R.6
  • 32
    • 0037134042 scopus 로고    scopus 로고
    • Divergent regulation of dihydrofolate reductase between malaria parasite and human host
    • DOI 10.1126/science.1068274
    • Zhang K, Rathod PK. Divergent regulation of dihydrofolate reductase between malaria parasite and human host. Science 296(5567), 545-547 (2002 (Pubitemid 34408676)
    • (2002) Science , vol.296 , Issue.5567 , pp. 545-547
    • Zhang, K.1    Rathod, P.K.2
  • 33
    • 0033180232 scopus 로고    scopus 로고
    • Antibiotic inhibitors of organellar protein synthesis in Plasmodium falciparum
    • Clough B, Rangachari K, Strath M, Preiser PR, Wilson RJ. Antibiotic inhibitors of organellar protein synthesis in Plasmodium falciparum. Protist. 150(2), 189-195 (1999 (Pubitemid 29442459)
    • (1999) Protist , vol.150 , Issue.2 , pp. 189-195
    • Clough, B.1    Rangachari, K.2    Strath, M.3    Preiser, P.R.4    Wilson, R.J.M.5
  • 34
    • 1242296814 scopus 로고    scopus 로고
    • Schistosomiasis and soil-transmitted helminthiasis: Common drugs for treatment and control
    • DOI 10.1517/14656566.5.2.263
    • Utzinger J, Keiser J. Schistosomiasis and soil-transmitted helminthiasis: common drugs for treatment and control. Expert Opin. Pharmacother. 5(2), 263-285 (2004 (Pubitemid 38219854)
    • (2004) Expert Opinion on Pharmacotherapy , vol.5 , Issue.2 , pp. 263-285
    • Utzinger, J.1    Keiser, J.2
  • 35
    • 14644418407 scopus 로고    scopus 로고
    • Multiple anthelmintic resistance in Haemonchus contortus isolated from South African Boer goats in Switzerland
    • DOI 10.1016/j.vetpar.2004.12.010
    • Schnyder M, Torgerson PR, Schonmann M, Kohler L, Hertzberg H. Multiple anthelmintic resistance in Haemonchus contortus isolated from South African Boer goats in Switzerland. Vet. Parasitol. 128(3-4), 285-290 (2005 (Pubitemid 40312437)
    • (2005) Veterinary Parasitology , vol.128 , Issue.3-4 , pp. 285-290
    • Schnyder, M.1    Torgerson, P.R.2    Schonmann, M.3    Kohler, L.4    Hertzberg, H.5
  • 37
    • 0036220660 scopus 로고    scopus 로고
    • Tuberculosis drug targets
    • Zhang Y, Amzel LM. Tuberculosis drug targets. Curr. Drug Targets 3(2), 131-154 (2002 (Pubitemid 34296204)
    • (2002) Current Drug Targets , vol.3 , Issue.2 , pp. 131-154
    • Zhang, Y.1    Amzel, L.M.2
  • 38
    • 77950522452 scopus 로고    scopus 로고
    • Computational approaches for the discovery of cysteine protease inhibitors against malaria and SARS
    • Shah F, Mukherjee P, Desai P, Avery M. Computational approaches for the discovery of cysteine protease inhibitors against malaria and SARS. Curr. Comput. Aided Drug Des. 6(1), 1-23 (2010
    • (2010) Curr. Comput. Aided Drug.Des. , vol.6 , Issue.1 , pp. 1-23
    • Shah, F.1    Mukherjee, P.2    Desai, P.3    Avery, M.4
  • 40
    • 0036084258 scopus 로고    scopus 로고
    • TTD: Therapeutic target database
    • Chen X, Ji ZL, Chen YZ. TTD: therapeutic target database. Nucleic Acids Res. 30(1), 412-415 (2002 (Pubitemid 34679600)
    • (2002) Nucleic Acids Research , vol.30 , Issue.1 , pp. 412-415
    • Chen, X.1    Ji, Z.L.2    Chen, Y.Z.3
  • 41
    • 79952516855 scopus 로고    scopus 로고
    • ChEMBL an interview with john overington team leader
    • chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory EMBL-EBIInterview by Wendy A Warr
    • Overington J. ChEMBL. An interview with John Overington, team leader, chemogenomics at the European Bioinformatics Institute Outstation of the European Molecular Biology Laboratory (EMBL-EBIInterview by Wendy A Warr. J. Comput. Aided Mol. Des. 23(4), 195-198 (2009
    • (2009) J. Comput. Aided Mol. Des. , vol.23 , Issue.4 , pp. 195-198
    • Overington, J.1
  • 42
    • 8844222708 scopus 로고    scopus 로고
    • TargetDB: A target registration database for structural genomics projects
    • DOI 10.1093/bioinformatics/bth300
    • Chen L, Oughtred R, Berman HM, Westbrook J. TargetDB: a target registration database for structural genomics projects. Bioinformatics 20(16), 2860-2862 (2004 (Pubitemid 39530181)
    • (2004) Bioinformatics , vol.20 , Issue.16 , pp. 2860-2862
    • Chen, L.1    Oughtred, R.2    Berman, H.M.3    Westbrook, J.4
  • 43
    • 40549130652 scopus 로고    scopus 로고
    • PDTD: A web-accessible protein database for drug target identification
    • Gao Z, Li H, Zhang H et al. PDTD: a web-accessible protein database for drug target identification. BMC Bioinformatics 9, 104-110 (2008
    • (2008) BMC Bioinformatics , vol.9 , pp. 104-110
    • Gao, Z.1    Li, H.2    Zhang, H.3
  • 44
    • 75549083482 scopus 로고    scopus 로고
    • EuPathDB: A portal to eukaryotic pathogen databases
    • Database issue
    • Aurrecoechea C, Brestelli J, Brunk BP et al. EuPathDB: a portal to eukaryotic pathogen databases. Nucleic Acids Res. 38(Database issue), D415-D419 (2010
    • (2010) Nucleic Acids Res. , vol.38
    • Aurrecoechea, C.1    Brestelli, J.2    Brunk, B.P.3
  • 45
    • 55349104084 scopus 로고    scopus 로고
    • Genomic-scale prioritization of drug targets: The TDR targets database
    • Aguero F, Al Lazikani B, Aslett M et al. Genomic-scale prioritization of drug targets: the TDR targets database. Nat. Rev. Drug Discov. 7(11), 900-907 (2008
    • (2008) Nat. Rev. Drug Discov. , vol.7 , Issue.11 , pp. 900-907
    • Aguero, F.1    Al Lazikani, B.2    Aslett, M.3
  • 46
    • 77954760488 scopus 로고    scopus 로고
    • Drug target identification validation characterisation and exploitation for treatment of acanthamoeba species infections
    • Roberts CW, Henriquez FL. Drug target identification, validation, characterisation and exploitation for treatment of Acanthamoeba (species) infections. Exp. Parasitol. 126(1), 91-96 (2010
    • (2010) Exp. Parasitol. , vol.126 , Issue.1 , pp. 91-96
    • Roberts, C.W.1    Henriquez, F.L.2
  • 47
    • 40549095339 scopus 로고    scopus 로고
    • Molecular basis for resistance of Acanthamoeba tubulins to all major classes of antitubulin compounds
    • DOI 10.1128/AAC.00355-07
    • Henriquez FL, Ingram PR, Muench SP, Rice DW, Roberts CW. Molecular basis for resistance of Acanthamoeba tubulins to all major classes of antitubulin compounds. Antimicrob. Agents Chemother. 52(3), 1133-1135 (2008 (Pubitemid 351358398)
    • (2008) Antimicrobial Agents and Chemotherapy , vol.52 , Issue.3 , pp. 1133-1135
    • Henriquez, F.L.1    Ingram, P.R.2    Muench, S.P.3    Rice, D.W.4    Roberts, C.W.5
  • 48
    • 4344668661 scopus 로고    scopus 로고
    • Drug repositioning: Identifying and developing new uses for existing drugs
    • Ashburn TT, Thor KB. Drug repositioning: identifying and developing new uses for existing drugs. Nat. Rev. Drug Discov. 3(8), 673-683 (2004 (Pubitemid 39173508)
    • (2004) Nature Reviews Drug Discovery , vol.3 , Issue.8 , pp. 673-683
    • Ashburn, T.T.1    Thor, K.B.2
  • 49
    • 84890988241 scopus 로고    scopus 로고
    • Target identification and mechanism-based screening for anthelmintics: Application of veterinary antiparasitic research programs to search for new antiparasitic drugs for human indications
    • Selzer PM Ed. Wiley-VCH Weinheim Germany
    • Geary TG, Woods DJ, Williams T, Nwaka S. Target identification and mechanism-based screening for anthelmintics: application of veterinary antiparasitic research programs to search for new antiparasitic drugs for human indications. In: Antiparasitic and Antibacterial Drug Discovery - from Molecular Targets to Drug Candidates. Selzer PM (Ed.Wiley- VCH, Weinheim, Germany 3-16 (2009
    • (2009) Antiparasitic and Antibacterial Drug Discovery-from Molecular Targets to Drug Candidates , pp. 3-16
    • Geary, T.G.1    Woods, D.J.2    Williams, T.3    Nwaka, S.4
  • 50
    • 79959796580 scopus 로고    scopus 로고
    • Orlistat: A repositioning opportunity as a growth inhibitor of apicomplexan parasites
    • Becker K. Ed. Wiley-VCH Weinheim Germany
    • Miculka C, Tran H, Meyer T et al. Orlistat: a repositioning opportunity as a growth inhibitor of apicomplexan parasites? In: Apicomplexan Parasites - Molecular Approaches Toward Targeted Drug Development. Becker K. (Ed.Wiley-VCH, Weinheim, Germany 481-492 (2011
    • (2011) Apicomplexan Parasites-Molecular Approaches Toward Targeted Drug Development , pp. 481-492
    • Miculka, C.1    Tran, H.2    Meyer, T.3
  • 51
    • 79953695916 scopus 로고    scopus 로고
    • In silico repositioning of approved drugs for rare and neglected diseases
    • 7-8
    • Ekins S, Williams AJ, Krasowski MD, Freundlich JS. In silico repositioning of approved drugs for rare and neglected diseases. Drug Discov. Today 16(7-8), 298-310 (2011
    • (2011) Drug Discov. Today , vol.16 , pp. 298-310
    • Ekins, S.1    Williams, A..2    Krasowski, M..3    Freundlich, J.S.4
  • 52
    • 61849137243 scopus 로고    scopus 로고
    • Novel web-based tools combining chemistry informatics biology and social networks for drug discovery
    • 5-6
    • Hohman M, Gregory K, Chibale K, Smith PJ, Ekins S, Bunin B. Novel web-based tools combining chemistry informatics, biology and social networks for drug discovery. Drug Discov. Today 14(5-6), 261-270 (2009
    • (2009) Drug Discov. Today , vol.14 , pp. 261-270
    • Hohman, M.1    Gregory, K.2    Chibale, K.3    Smith, P.J.4    Ekins, S.5    Bunin, B.6
  • 53
    • 68249144628 scopus 로고    scopus 로고
    • Drug discovery using chemical systems biology: Repositioning the safe medicine comtan to treat multi-drug and extensively drug resistant tuberculosis
    • Kinnings SL, Liu N, Buchmeier N, Tonge PJ, Xie L, Bourne PE. Drug discovery using chemical systems biology: repositioning the safe medicine comtan to treat multi-drug and extensively drug resistant tuberculosis. PLoS Comput. Biol. 5(7) (2009
    • (2009) PLoS Comput. Biol. , vol.5 , pp. 7
    • Kinnings, S.L.1    Liu, N.2    Buchmeier, N.3    Tonge, P.J.4    Xie, L.5    Bourne, P.E.6
  • 54
    • 13444272070 scopus 로고    scopus 로고
    • The biomolecular interaction network database and related tools 2005 update
    • Database issue
    • Alfarano C, Andrade CE, Anthony K et al. The Biomolecular Interaction Network Database and related tools 2005 update. Nucleic Acids Res. 33 (Database issue), D418-D424 (2005
    • (2005) Nucleic Acids Res. , vol.33
    • Alfarano, C.1    Andrade, C.E.2    Anthony, K.3
  • 56
    • 77954264038 scopus 로고    scopus 로고
    • PharmMapper server: A web server for potential drug target identification using pharmacophore mapping approach
    • Web server issue
    • Liu X, Ouyang S, Yu B et al. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res. 38 (Web server issue), W609-W614 (2010
    • (2010) Nucleic Acids Res. , vol.38
    • Liu, X.1    Ouyang, S.2    Yu, B.3
  • 57
    • 33749005947 scopus 로고    scopus 로고
    • The thiol-based redox networks of pathogens: Unexploited targets in the search for new drugs
    • Free Radicals in Biology and Medicine: From Inflammation to Biotechnology
    • Jaeger T, Flohe L. The thiol-based redox networks of pathogens: unexploited targets in the search for new drugs. Biofactors 27(1-4), 109-120 (2006 (Pubitemid 44444593)
    • (2006) BioFactors , vol.27 , Issue.1-4 , pp. 109-120
    • Jaeger, T.1    Flohe, L.2
  • 58
    • 79959789043 scopus 로고    scopus 로고
    • Virtual screening by high-throughput docking using hydrogen binding constraints for targeting a protein-protein interface in M tuberculosis
    • Koch O, Jaeger T, Flohé L, Selzer PM. Virtual screening by high-throughput docking using hydrogen binding constraints for targeting a protein-protein interface in M. tuberculosis. J. Cheminform. 2(Suppl. 1), 24 (2010
    • (2010) J. Cheminform , vol.2 , Issue.1 , pp. 24
    • Koch, O.1    Jaeger, T.2    Flohé, L.3    Selzer, P.M.4
  • 59
    • 79959775124 scopus 로고    scopus 로고
    • Trypanothione reductase: A target protein for a combined in silico and in vitro screening approach
    • Frago S Gómez-Moreno C Medina M EdsPrensas Universitarias de Zaragoza Zaragoza Spain
    • Beig M, Bender F, Oellien F, Gassel M, Selzer PM. Trypanothione reductase: a target protein for a combined in silico and in vitro screening approach. In: Flavins and Flavoproteins 2008. Frago S, Gómez-Moreno C, Medina M (EdsPrensas Universitarias de Zaragoza, Zaragoza, Spain 503-508 (2008
    • (2008) Flavins and Flavoproteins 2008 , pp. 503-508
    • Beig, M.1    Bender, F.2    Oellien, F.3    Gassel, M.4    Selzer, P.M.5
  • 60
    • 33845338444 scopus 로고    scopus 로고
    • A combined bioinformatics and chemoinformatics approach for the development of new antiparasitic drugs
    • DOI 10.1016/j.ygeno.2006.09.008, PII S0888754306002746
    • Krasky A, Rohwer A, Schroeder J, Selzer PM. A combined bioinformatics and chemoinformatics approach for the development of new antiparasitic drugs. Genomics 89(1), 36-43 (2007 (Pubitemid 44873185)
    • (2007) Genomics , vol.89 , Issue.1 , pp. 36-43
    • Krasky, A.1    Rohwer, A.2    Schroeder, J.3    Selzer, P.M.4
  • 61
    • 33745607880 scopus 로고    scopus 로고
    • Prioritizing genomic drug targets in pathogens: Application to mycobacterium tuberculosis
    • Hasan S, Daugelat S, Rao PS, Schreiber M. Prioritizing genomic drug targets in pathogens: application to Mycobacterium tuberculosis. PLoS Comput. Biol. 2(6), e61 (2006
    • (2006) PLoS Comput. Biol. , vol.2 , Issue.6
    • Hasan, S.1    Daugelat, S.2    Rao, P.S.3    Schreiber, M.4
  • 62
    • 78149249050 scopus 로고    scopus 로고
    • Identification of attractive drug targets in neglected-disease pathogens using an in silico approach
    • Crowther GJ, Shanmugam D, Carmona SJ et al. Identification of attractive drug targets in neglected-disease pathogens using an in silico approach. PLoS Negl. Trop. Dis. 4(8), e804 (2010
    • (2010) PLoS Negl. Trop. Dis. , vol.4 , Issue.8
    • Crowther, G.J.1    Shanmugam, D.2    Carmona, S.J.3
  • 63
    • 43149083089 scopus 로고    scopus 로고
    • Mining predicted essential genes of brugia malayi for nematode drug targets
    • Kumar S, Chaudhary K, Foster JM et al. Mining predicted essential genes of Brugia malayi for nematode drug targets. PLoS One 2(11), e1189 (2007
    • (2007) PLoS One , vol.2 , Issue.11
    • Kumar, S.1    Chaudhary, K.2    Foster, J.M.3
  • 64
    • 25444504715 scopus 로고    scopus 로고
    • Genlight: Interactive high-throughput sequence analysis and comparative genomics
    • Beckstette M, Mailaender JT, Marhoefer RJ et al. Genlight: interactive high-throughput sequence analysis and comparative genomics. J. Integr. Bioinform. 1, 8 (2004
    • (2004) J. Integr. Bioinform. , vol.1 , pp. 8
    • Beckstette, M.1    Mailaender, J.T.2    Marhoefer, R.J.3
  • 65
    • 77954266960 scopus 로고    scopus 로고
    • SMAP-WS: A parallel web service for structural proteome-wide ligand-binding site comparison
    • Ren JY, Xie L, Li WW, Bourne PE. SMAP-WS: a parallel web service for structural proteome-wide ligand-binding site comparison. Nucleic Acids Res. 38, W441-W444 (2010
    • (2010) Nucleic Acids Res. , vol.38
    • Ren, J.Y.1    Xie, L.2    Li, W.W.3    Bourne, P.E.4
  • 66
    • 44449139387 scopus 로고    scopus 로고
    • Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments
    • DOI 10.1073/pnas.0704422105
    • Xie L, Bourne PE. Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments. Proc. Natl Acad. Sci. USA 105(14), 5441-5446 (2008 (Pubitemid 351753882)
    • (2008) Proceedings of the National Academy of Sciences of the United States of America , vol.105 , Issue.14 , pp. 5441-5446
    • Xie, L.1    Bourne, P.E.2
  • 67
    • 77950957389 scopus 로고    scopus 로고
    • Properties and identification of antibiotic drug targets
    • Bakheet TM, Doig AJ. Properties and identification of antibiotic drug targets. BMC Bioinformatics 11, 195 (2010
    • (2010) BMC Bioinformatics , vol.11 , pp. 195
    • Bakheet, T.M.1    Doig, A.J.2
  • 68
    • 33947600314 scopus 로고    scopus 로고
    • Support vector machines approach for predicting druggable proteins: Recent progress in its exploration and investigation of its usefulness
    • DOI 10.1016/j.drudis.2007.02.015, PII S1359644607000967
    • Han LY, Zheng CJ, Xie B et al. Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness. Drug Discov. Today 12(7-8), 304-313 (2007 (Pubitemid 46476873)
    • (2007) Drug Discovery Today , vol.12 , Issue.7-8 , pp. 304-313
    • Han, L.Y.1    Zheng, C.J.2    Xie, B.3    Jia, J.4    Ma, X.H.5    Zhu, F.6    Lin, H.H.7    Chen, X.8    Chen, Y.Z.9
  • 69
    • 36349010717 scopus 로고    scopus 로고
    • Prediction of potential drug targets based on simple sequence properties
    • Li QL, Lai LH. Prediction of potential drug targets based on simple sequence properties. BMC Bioinformatics 8, 353 (2007
    • (2007) BMC Bioinformatics , vol.8 , pp. 353
    • Li, Q.L.1    Lai, L.H.2
  • 70
    • 49749102371 scopus 로고    scopus 로고
    • Prediction of antibiotic resistance proteins from sequence-derived properties irrespective of sequence similarity
    • Zhang HL, Lin HH, Tao L et al. Prediction of antibiotic resistance proteins from sequence-derived properties irrespective of sequence similarity. Int. J. Antimicrob. Agents 32(3), 221-226 (2008
    • (2008) Int. J. Antimicrob. Agents , vol.32 , Issue.3 , pp. 221-226
    • Zhang, H.L.1    Lin, H.H.2    Tao, L.3
  • 72
    • 0033957834 scopus 로고    scopus 로고
    • The SWISS-PROT protein sequence database and its supplement TrEMBL in 2000
    • Bairoch A, Apweiler R. The SWISS-PROT protein sequence database and its supplement TrEMBL in 2000. Nucleic Acids Res. 28(1), 45-48 (2000 (Pubitemid 30047711)
    • (2000) Nucleic Acids Research , vol.28 , Issue.1 , pp. 45-48
    • Bairoch, A.1    Apweiler, R.2
  • 73
    • 60349109713 scopus 로고    scopus 로고
    • Computational evaluation of protein-small molecule binding
    • Guvench O, MacKerell AD Jr. Computational evaluation of protein-small molecule binding. Curr. Opin. Struct. Biol. 19(1), 56-61 (2009
    • (2009) Curr. Opin. Struct. Biol. , vol.19 , Issue.1 , pp. 56-61
    • Guvench, O.1    MacKerell, Jr.A.D.2
  • 74
    • 84956801822 scopus 로고    scopus 로고
    • Pharmacophore pattern application in virtual screening library design and QSAR
    • Böhm H-J Schneider G Mannhold R Kubinyi H Timmermann H EdsWiley-VCH Weinheim Germany
    • Good AC, Mason JS, Pickett SD. Pharmacophore pattern application in virtual screening, library design and QSAR. In: Virtual Screening for Bioactive Molecules. Böhm H-J, Schneider G, Mannhold R, Kubinyi H, Timmermann H (EdsWiley-VCH, Weinheim, Germany 131-156 (2000
    • (2000) Virtual Screening for Bioactive Molecules , pp. 131-156
    • Good, A.C.1    Mason, J.S.2    Pickett, S.D.3
  • 75
    • 77953462904 scopus 로고    scopus 로고
    • Targeting the BCR-ABL tyrosine kinase in chronic myeloid leukemia as a model of rational drug design in cancer
    • Zamecnikova A. Targeting the BCR-ABL tyrosine kinase in chronic myeloid leukemia as a model of rational drug design in cancer. Expert Rev. Hematol. 3(1), 45-56 (2010
    • (2010) Expert Rev. Hematol. , vol.3 , Issue.1 , pp. 45-56
    • Zamecnikova, A.1
  • 76
    • 77952561097 scopus 로고    scopus 로고
    • Foreword: Oseltamivir for seasonal avian and pandemic influenza: 10 years of clinical experience
    • Nguyen-Van-Tam JS. Foreword: oseltamivir for seasonal, avian and pandemic influenza: 10 years of clinical experience. J. Antimicrob. Chemother. 65(Suppl. 2), ii3-ii4 (2010
    • (2010) J. Antimicrob. Chemother , vol.65 , Issue.2
    • Nguyen-Van-Tam, J.S.1
  • 77
    • 70450205130 scopus 로고    scopus 로고
    • Molecules made to measure
    • Sansom C. Molecules made to measure. Chemistry World 6(11), 50-53 (2009
    • (2009) Chemistry World , vol.6 , Issue.11 , pp. 50-53
    • Sansom, C.1
  • 78
    • 34447270269 scopus 로고    scopus 로고
    • Structure based drug design for HIV protease: From molecular modeling to cheminformatics
    • DOI 10.2174/156802607780906744
    • Volarath P, Harrison RW, Weber IT. Structure based drug design for HIV protease: from molecular modeling to cheminformatics. Curr. Top. Med. Chem. 7(10), 1030-1038 (2007 (Pubitemid 47040530)
    • (2007) Current Topics in Medicinal Chemistry , vol.7 , Issue.10 , pp. 1030-1038
    • Volarath, P.1    Harrison, R.W.2    Weber, I.T.3
  • 79
    • 77955106255 scopus 로고    scopus 로고
    • Inhibition of eimeria tenella CDK-related kinase 2: From target identification to lead compounds
    • Engels K, Beyer C, Suarez Fernandez ML et al. Inhibition of Eimeria tenella CDK-related kinase 2: from target identification to lead compounds. ChemMedChem 5(8), 1259-1271 (2010
    • (2010) Chem. Med. Chem. , vol.5 , Issue.8 , pp. 1259-1271
    • Engels, K.1    Beyer, C.2    Suarez Fernandez, M.L.3
  • 80
    • 44449109653 scopus 로고    scopus 로고
    • Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: Molecular docking and 3D QSAR studies
    • DOI 10.1021/ci700453j
    • Guido RV, Oliva G, Montanari CA, Andricopulo AD. Structural basis for selective inhibition of trypanosomatid glyceraldehyde- 3-phosphate dehydrogenase: molecular docking and 3D QSAR studies. J. Chem. Inf. Model. 48(4), 918-929 (2008 (Pubitemid 351757757)
    • (2008) Journal of Chemical Information and Modeling , vol.48 , Issue.4 , pp. 918-929
    • Guido, R.V.C.1    Oliva, G.2    Montanari, C.A.3    Andricopulo, A.D.4
  • 81
    • 73449123081 scopus 로고    scopus 로고
    • Structure-based drug discovery for tropical diseases
    • Guido RV, Oliva G. Structure-based drug discovery for tropical diseases. Curr. Top. Med. Chem. 9(9), 824-843 (2009
    • (2009) Curr. Top. Med. Chem. , vol.9 , Issue.9 , pp. 824-843
    • Guido, R.V.1    Oliva, G.2
  • 82
    • 77957235318 scopus 로고    scopus 로고
    • Discovery of new inhibitors of schistosoma mansoni PNP by pharmacophore-based virtual screening
    • Postigo MP, Guido RV, Oliva G et al. Discovery of new inhibitors of Schistosoma mansoni PNP by pharmacophore-based virtual screening. J. Chem. Inf. Model. 50(9), 1693-1705 (2010
    • (2010) J. Chem. Inf. Model. , vol.50 , Issue.9 , pp. 1693-1705
    • Postigo, M.P.1    Guido, R.V.2    Oliva, G.3
  • 83
    • 33646475173 scopus 로고    scopus 로고
    • Poultry coccidiosis: Recent advancements in control measures and vaccine development
    • Dalloul RA, Lillehoj HS. Poultry coccidiosis: recent advancements in control measures and vaccine development. Expert Rev. Vaccines 5(1), 143-163 (2006
    • (2006) Expert Rev. Vaccines , vol.5 , Issue.1 , pp. 143-163
    • Dalloul, R.A.1    Lillehoj, H.S.2
  • 84
    • 60749109846 scopus 로고    scopus 로고
    • Cell cycle CDKs and cancer: A changing paradigm
    • Malumbres M, Barbacid M. Cell cycle, CDKs and cancer: a changing paradigm. Nat. Rev. Cancer 9(3), 153-166 (2009
    • (2009) Nat. Rev. Cancer , vol.9 , Issue.3 , pp. 153-166
    • Malumbres, M.1    Barbacid, M.2
  • 85
    • 0037277244 scopus 로고    scopus 로고
    • Cyclin-dependent kinase inhibitors: Cancer killers to neuronal guardians
    • Monaco EA III, Vallano ML. Cyclin-dependent kinase inhibitors: cancer killers to neuronal guardians. Curr. Med. Chem. 10(5), 367-379 (2003 (Pubitemid 36221570)
    • (2003) Current Medicinal Chemistry , vol.10 , Issue.5 , pp. 367-379
    • Monaco III, E.A.1    Vallano, M.L.2
  • 86
    • 33750869194 scopus 로고    scopus 로고
    • Essential roles for G1 cyclin-dependent kinase activity in development of cardiomyocyte hypertrophy
    • 6 Pt 2
    • Tamamori M, Ito H, Hiroe M, Terada Y, Marumo F, Ikeda MA. Essential roles for G1 cyclin-dependent kinase activity in development of cardiomyocyte hypertrophy. Am. J. Physiol. 275(6 Pt 2), H2036-H2040 (1998
    • (1998) Am. J. Physiol. , vol.275
    • Tamamori, M.1    Ito, H.2    Hiroe, M.3    Terada, Y.4    Marumo, F.5    Ikeda, M.A.6
  • 87
    • 33846004815 scopus 로고    scopus 로고
    • Five years of progress on cyclin-dependent kinases and other cellular proteins as potential targets for antiviral drugs
    • Schang.LM, St Vincent MR, Lacasse JJ. Five years of progress on cyclin-dependent kinases and other cellular proteins as potential targets for antiviral drugs. Antiviral Chem. Chemother. 17, 293-320 (2010 (Pubitemid 46043181)
    • (2006) Antiviral Chemistry and Chemotherapy , vol.17 , Issue.6 , pp. 293-320
    • Schang, L.M.1    St. Vincent, M.R.2    Lacasse, J.J.3
  • 92
    • 17144432376 scopus 로고    scopus 로고
    • Parameterization of the temperature dependence of the debye-waller factors
    • Gao HX, Peng LM. Parameterization of the temperature dependence of the Debye-Waller factors. Acta Crystallogr. A 55, 926-932 (1999
    • (1999) Acta. Crystallogr. A , vol.55 , pp. 926-932
    • Gao, H.X.1    Peng, L.M.2
  • 95
    • 0033779243 scopus 로고    scopus 로고
    • Molecular descriptors in chemoinformatics computational combinatorial chemistry and virtual screening
    • Xue L, Bajorath J. Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening. Comb. Chem. High Throughput Screen. 3(5), 363-372 (2000
    • (2000) Comb. Chem. High Throughput Screen , vol.3 , Issue.5 , pp. 363-372
    • Xue, L.1    Bajorath, J.2
  • 96
    • 10244222365 scopus 로고    scopus 로고
    • Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
    • Hert J, Willett P, Wilton DJ et al. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures. Org. Biomol. Chem. 2(22), 3256-3266 (2004
    • (2004) Org. Biomol. Chem. , vol.2 , Issue.22 , pp. 3256-3266
    • Hert, J.1    Willett, P.2    Wilton, D.J.3
  • 97
    • 0035665229 scopus 로고    scopus 로고
    • The linear interaction energy method for predicting ligand binding free energies
    • Aqvist J, Marelius J. The linear interaction energy method for predicting ligand binding free energies. Comb. Chem. High Throughput Screen. 4, 613-626 (2001 (Pubitemid 34003156)
    • (2001) Combinatorial Chemistry and High Throughput Screening , vol.4 , Issue.8 , pp. 613-626
    • Aqvist, J.1    Marelius, J.2
  • 99
    • 80053384041 scopus 로고    scopus 로고
    • Systems parasitology: Effects of fasciola hepatica on the neurochemical profile in the rat brain
    • Saric J, Li JV, Utzinger J et al. Systems parasitology: effects of Fasciola hepatica on the neurochemical profile in the rat brain. Mol. Syst. Biol. 6, 396 (2010).
    • (2010) Mol. Syst. Biol. , vol.6 , pp. 396
    • Saric, J.1    Li, J.V.2    Utzinger, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.