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Volumn 103, Issue , 2015, Pages 163-174

Novel aminotetrazole derivatives as selective STAT3 non-peptide inhibitors

Author keywords

Aminotetrazole; Anticancer drug; Inflammation; Small molecule inhibitor; STAT3

Indexed keywords

AMINOTETRAZOLE DERIVATIVE; PROTEIN INHIBITOR; STAT1 PROTEIN; STAT3 PROTEIN; TETRAZOLE DERIVATIVE; UNCLASSIFIED DRUG; ANTINEOPLASTIC AGENT; STAT3 PROTEIN, HUMAN; STAT3 PROTEIN, MOUSE;

EID: 84941285460     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2015.08.054     Document Type: Article
Times cited : (32)

References (62)
  • 1
    • 0036782706 scopus 로고    scopus 로고
    • Transcription factors as targets for cancer therapy
    • J.E. Darnell Transcription factors as targets for cancer therapy Nat. Rev. Cancer 2 2002 740 749 10.1038/nrc906
    • (2002) Nat. Rev. Cancer , vol.2 , pp. 740-749
    • Darnell, J.E.1
  • 2
    • 0030840464 scopus 로고    scopus 로고
    • STATs and gene regulation
    • J.E. Darnell STATs and gene regulation Science 277 1997 1630 1635 10.1126/science.277.5332.1630
    • (1997) Science , vol.277 , pp. 1630-1635
    • Darnell, J.E.1
  • 3
    • 0028175454 scopus 로고
    • Ligand-induced IFN gamma receptor tyrosine phosphorylation couples the receptor to its signal transduction system (p91)
    • A.C. Greenlund, M.A. Farrar, B.L. Viviano, and R.D. Schreiber Ligand-induced IFN gamma receptor tyrosine phosphorylation couples the receptor to its signal transduction system (p91) EMBO J. 13 7 1994 1591 1600
    • (1994) EMBO J. , vol.13 , Issue.7 , pp. 1591-1600
    • Greenlund, A.C.1    Farrar, M.A.2    Viviano, B.L.3    Schreiber, R.D.4
  • 4
    • 0027493650 scopus 로고
    • A single phosphotyrosine residue of Stat91 required for gene activation by interferon-gamma
    • K. Shuai, G.R. Stark, I.M. Kerr, and J.E. Darnell Jr. A single phosphotyrosine residue of Stat91 required for gene activation by interferon-gamma Science 261 1993 1744 1746 10.1126/science.7690989
    • (1993) Science , vol.261 , pp. 1744-1746
    • Shuai, K.1    Stark, G.R.2    Kerr, I.M.3    Darnell, J.E.4
  • 5
    • 0030046753 scopus 로고    scopus 로고
    • STATs: Signal transducers and activators of transcription
    • J.N. Ihle STATs: signal transducers and activators of transcription Cell 84 1996 331 334
    • (1996) Cell , vol.84 , pp. 331-334
    • Ihle, J.N.1
  • 6
    • 0032996486 scopus 로고    scopus 로고
    • The Jak-Stat pathway: Cytokine signaling from the receptor to the nucleus
    • M.H. Heim The Jak-Stat pathway: cytokine signaling from the receptor to the nucleus J. Recept. Signal. Transduct. Res. 19 1999 75 120 10.3109/10799899909036638
    • (1999) J. Recept. Signal. Transduct. Res. , vol.19 , pp. 75-120
    • Heim, M.H.1
  • 7
    • 1042302005 scopus 로고    scopus 로고
    • The STATs of cancer - New molecular targets come of age
    • H. Yu, and R. Jove The STATs of cancer - new molecular targets come of age Nat. Rev. Cancer 4 2004 97 105 10.1038/nrc1275
    • (2004) Nat. Rev. Cancer , vol.4 , pp. 97-105
    • Yu, H.1    Jove, R.2
  • 8
    • 67650956808 scopus 로고    scopus 로고
    • STAT1 and STAT3 in tumorigenesis: Two sides of the same coin?
    • A. Stephanou, Landes Bioscience Austin
    • S. Pensa, G. Regis, D. Boselli, F. Novelli, and V. Poli STAT1 and STAT3 in tumorigenesis: two sides of the same coin? A. Stephanou, JAK-STAT Pathway in Disease 2008 Landes Bioscience Austin 100 121
    • (2008) JAK-STAT Pathway in Disease , pp. 100-121
    • Pensa, S.1    Regis, G.2    Boselli, D.3    Novelli, F.4    Poli, V.5
  • 10
    • 44349087591 scopus 로고    scopus 로고
    • STAT3 as a target for cancer drug discovery
    • L. Costantino, and D. Barlocco STAT3 as a target for cancer drug discovery Curr. Med. Chem. 15 2008 834 843 10.2174/092986708783955464
    • (2008) Curr. Med. Chem. , vol.15 , pp. 834-843
    • Costantino, L.1    Barlocco, D.2
  • 11
    • 80051733032 scopus 로고    scopus 로고
    • Inhibiting signal transducer and activator of transcription 3: Rationality and rationale design of inhibitors
    • A.K. Mankan, and F.R. Greten Inhibiting signal transducer and activator of transcription 3: rationality and rationale design of inhibitors Expert Opin. Invest. Drugs 20 2011 1263 1275 10.1517/13543784.2011.601739
    • (2011) Expert Opin. Invest. Drugs , vol.20 , pp. 1263-1275
    • Mankan, A.K.1    Greten, F.R.2
  • 12
    • 79957940748 scopus 로고    scopus 로고
    • STAT-3 Inhibitors: State of the art and new horizons for cancer treatment
    • A. Lavecchia, C. Di Giovanni, and E. Novellino STAT-3 Inhibitors: state of the art and new horizons for cancer treatment Curr. Med. Chem. 18 2011 2359 2375 10.2174/092986711795843218
    • (2011) Curr. Med. Chem. , vol.18 , pp. 2359-2375
    • Lavecchia, A.1    Di Giovanni, C.2    Novellino, E.3
  • 13
    • 78650499336 scopus 로고    scopus 로고
    • Signal transducer and activator of transcription 3 inhibitors: A patent review
    • B.D. Page, D.P. Ball, and P.T. Gunning Signal transducer and activator of transcription 3 inhibitors: a patent review Expert Opin. Ther. Pat. 21 1 2011 65 83 10.1517/13543776.2011.539205
    • (2011) Expert Opin. Ther. Pat. , vol.21 , Issue.1 , pp. 65-83
    • Page, B.D.1    Ball, D.P.2    Gunning, P.T.3
  • 14
    • 84864917825 scopus 로고    scopus 로고
    • Small molecule inhibitors of signal transducer and activator of transcription 3 (Stat3) protein
    • B. Debnath, S. Xu, and N. Neamati Small molecule inhibitors of signal transducer and activator of transcription 3 (Stat3) protein J. Med. Chem. 55 15 2012 6645 6668 10.1021/jm300207s
    • (2012) J. Med. Chem. , vol.55 , Issue.15 , pp. 6645-6668
    • Debnath, B.1    Xu, S.2    Neamati, N.3
  • 15
    • 84941305614 scopus 로고    scopus 로고
    • http://bioinfo-pharma.u-strasbg.fr/bioinfo.
  • 16
    • 0032499801 scopus 로고    scopus 로고
    • Three-dimensional structure of the Stat3beta homodimer bound to DNA
    • S. Becker, B. Groner, and C.W. Muller Three-dimensional structure of the Stat3beta homodimer bound to DNA Nature 394 1998 145 151 10.1038/28101
    • (1998) Nature , vol.394 , pp. 145-151
    • Becker, S.1    Groner, B.2    Muller, C.W.3
  • 17
    • 33846933784 scopus 로고    scopus 로고
    • Optimizing fragment and scaffold docking by use of molmecular interaction fingeprints
    • G. Marcou, and D. Rognan Optimizing fragment and scaffold docking by use of molmecular interaction fingeprints J. Chem. Inf. Model 47 2007 195 207 10.1021/ci600342e
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 195-207
    • Marcou, G.1    Rognan, D.2
  • 19
    • 3142721913 scopus 로고    scopus 로고
    • Requirement of histone deacetylase activity for signaling by STAT1
    • L. Klampfer, J. Huang, L.A. Swaby, and L. Augenlicht Requirement of histone deacetylase activity for signaling by STAT1 J. Biol. Chem. 279 29 2004 30358 30368 10.1074/jbc.M401359200
    • (2004) J. Biol. Chem. , vol.279 , Issue.29 , pp. 30358-30368
    • Klampfer, L.1    Huang, J.2    Swaby, L.A.3    Augenlicht, L.4
  • 20
    • 16344380754 scopus 로고    scopus 로고
    • A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells
    • H. Song, R. Wang, S. Wang, and J. Lin A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells Proc. Natl. Acad. Sci. U. S. A. 102 13 2005 4700 4705 10.1073/pnas.0409894102
    • (2005) Proc. Natl. Acad. Sci. U. S. A. , vol.102 , Issue.13 , pp. 4700-4705
    • Song, H.1    Wang, R.2    Wang, S.3    Lin, J.4
  • 23
    • 68949131070 scopus 로고    scopus 로고
    • STAT3 in CD4+ T helper cell differentiation and inflammatory diseases
    • C.E. Egwuagu STAT3 in CD4+ T helper cell differentiation and inflammatory diseases Cytokine 47 3 2009 149 156 10.1016/j.cyto.2009.07.003
    • (2009) Cytokine , vol.47 , Issue.3 , pp. 149-156
    • Egwuagu, C.E.1
  • 25
    • 78650210593 scopus 로고    scopus 로고
    • Identification of niclosamide as a new small-molecule inhibitor of the STAT3 signaling pathway
    • X. Ren, L. Duan, Q. He, Z. Zhang, Y. Zhou, D. Wu, J. Pan, D. Pei, and K. Ding Identification of niclosamide as a new small-molecule inhibitor of the STAT3 signaling pathway ACS Med. Chem. Lett. 1 2010 454 459 10.1021/ml100146z
    • (2010) ACS Med. Chem. Lett. , vol.1 , pp. 454-459
    • Ren, X.1    Duan, L.2    He, Q.3    Zhang, Z.4    Zhou, Y.5    Wu, D.6    Pan, J.7    Pei, D.8    Ding, K.9
  • 26
    • 84873738776 scopus 로고    scopus 로고
    • Fragment-based drug design and identification of HJC0123, a novel orally bioavailable STAT3 inhibitor for cancer therapy
    • H. Chen, Z. Yang, C. Ding, L. Chu, Y. Zhang, K. Terry, H. Liu, Q. Shen, and J. Zhou Fragment-based drug design and identification of HJC0123, a novel orally bioavailable STAT3 inhibitor for cancer therapy Eur. J. Med. Chem. 62 2013 498 507 10.1016/j.ejmech.2013.01.023
    • (2013) Eur. J. Med. Chem. , vol.62 , pp. 498-507
    • Chen, H.1    Yang, Z.2    Ding, C.3    Chu, L.4    Zhang, Y.5    Terry, K.6    Liu, H.7    Shen, Q.8    Zhou, J.9
  • 27
    • 33750982120 scopus 로고    scopus 로고
    • Stattic: A small-molecule inhibitor of STAT3 activation and dimerization
    • J. Schust, B. Sperl, A. Hollis, T.U. Mayer, and T. Berg Stattic: a small-molecule inhibitor of STAT3 activation and dimerization Chem. Biol. 13 2006 1235 1242 10.1016/j.chembiol.2006.09.018
    • (2006) Chem. Biol. , vol.13 , pp. 1235-1242
    • Schust, J.1    Sperl, B.2    Hollis, A.3    Mayer, T.U.4    Berg, T.5
  • 28
    • 79961241355 scopus 로고    scopus 로고
    • Fragment-based drug design and drug repositioning using multiple ligand simultaneous docking (MLSD): Identifying celecoxib and template compounds as novel inhibitors of signal transducer and activator of transcription 3 (STAT3)
    • H. Li, A. Liu, Z. Zhao, Y. Xu, J. Lin, D. Jou, and C. Li Fragment-based drug design and drug repositioning using multiple ligand simultaneous docking (MLSD): identifying celecoxib and template compounds as novel inhibitors of signal transducer and activator of transcription 3 (STAT3) J. Med. Chem. 54 2011 5592 5596 10.1021/jm101330h
    • (2011) J. Med. Chem. , vol.54 , pp. 5592-5596
    • Li, H.1    Liu, A.2    Zhao, Z.3    Xu, Y.4    Lin, J.5    Jou, D.6    Li, C.7
  • 32
    • 84879056436 scopus 로고    scopus 로고
    • Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design
    • W. Yu, H. Xiao, J. Lin, and C. Li Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design J. Med. Chem. 56 2013 4402 4412 10.1021/jm400080c
    • (2013) J. Med. Chem. , vol.56 , pp. 4402-4412
    • Yu, W.1    Xiao, H.2    Lin, J.3    Li, C.4
  • 33
    • 47749107900 scopus 로고    scopus 로고
    • Inhibition of the signal transducer and activator of transcription-3 (STAT3) signaling pathway by 4-oxo-1-phenyl-1,4-dihydroquinoline-3-carboxylic acid esters
    • J. Xu, D.C. Cole, C.-P.B. Chang, R. Ayyad, M. Asselin, W. Hao, J. Gibbons, S.A. Jelinsky, K.A. Saraf, and K. Park Inhibition of the signal transducer and activator of transcription-3 (STAT3) signaling pathway by 4-oxo-1-phenyl-1,4-dihydroquinoline-3-carboxylic acid esters J. Med. Chem. 51 2008 4115 4121 10.1021/jm701271y
    • (2008) J. Med. Chem. , vol.51 , pp. 4115-4121
    • Xu, J.1    Cole, D.C.2    Chang, C.-P.B.3    Ayyad, R.4    Asselin, M.5    Hao, W.6    Gibbons, J.7    Jelinsky, S.A.8    Saraf, K.A.9    Park, K.10
  • 34
    • 84873029395 scopus 로고    scopus 로고
    • Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
    • M. Zhang, W. Zhu, and Y. Li Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening Eur. J. Med. Chem. 62 2013 301 310 10.1016/j.ejmech.2013.01.009
    • (2013) Eur. J. Med. Chem. , vol.62 , pp. 301-310
    • Zhang, M.1    Zhu, W.2    Li, Y.3
  • 35
    • 84875209735 scopus 로고    scopus 로고
    • Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening
    • M. Zhang, W. Zhu, N. Ding, W. Zhang, and Y. Li Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening Bioorg. Med. Chem. Lett. 23 2013 2225 2229 10.1016/j.bmcl.2013.01.056
    • (2013) Bioorg. Med. Chem. Lett. , vol.23 , pp. 2225-2229
    • Zhang, M.1    Zhu, W.2    Ding, N.3    Zhang, W.4    Li, Y.5
  • 39
    • 77649178678 scopus 로고    scopus 로고
    • A novel small-molecule disrupts Stat3 SH2 domainphosphotyrosine interactions and Stat3-dependent tumor processes
    • X. Zhang, P. Yue, S. Fletcher, W. Zhao, P.T. Gunning, and J. Turkson A novel small-molecule disrupts Stat3 SH2 domainphosphotyrosine interactions and Stat3-dependent tumor processes Biochem. Pharmacol. 79 2010 1398 1409 10.1016/j.bcp.2010.01.001
    • (2010) Biochem. Pharmacol. , vol.79 , pp. 1398-1409
    • Zhang, X.1    Yue, P.2    Fletcher, S.3    Zhao, W.4    Gunning, P.T.5    Turkson, J.6
  • 40
    • 70349558529 scopus 로고    scopus 로고
    • Disruption of transcriptionally active stat3 dimers with non-phosphorylated, salicylic acid-based small molecules: Potent in vitro and tumor cell activities
    • S. Fletcher, J. Singh, X. Zhang, P. Yue, B.D.G. Page, S. Sharmeen, V.M. Shahani, W. Zhao, A.D. Schimmer, J. Turkson, and P.T. Gunning Disruption of transcriptionally active stat3 dimers with non-phosphorylated, salicylic acid-based small molecules: potent in vitro and tumor cell activities ChemBioChem 10 2009 1959 1964 10.1002/cbic.200900172
    • (2009) ChemBioChem , vol.10 , pp. 1959-1964
    • Fletcher, S.1    Singh, J.2    Zhang, X.3    Yue, P.4    Page, B.D.G.5    Sharmeen, S.6    Shahani, V.M.7    Zhao, W.8    Schimmer, A.D.9    Turkson, J.10    Gunning, P.T.11
  • 41
    • 51349156533 scopus 로고    scopus 로고
    • Discovery of the catechol structural moiety as a Stat3 SH2 domain inhibitor by virtual screening
    • W. Hao, Y. Hu, C. Niu, X. Huang, C.-P.B. Chang, J. Gibbons, and J. Xu Discovery of the catechol structural moiety as a Stat3 SH2 domain inhibitor by virtual screening Bioorg. Med. Chem. Lett. 18 2008 4988 4992 10.1016/j.bmcl.2008.08.032
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 4988-4992
    • Hao, W.1    Hu, Y.2    Niu, C.3    Huang, X.4    Chang, C.-P.B.5    Gibbons, J.6    Xu, J.7
  • 44
    • 58149392583 scopus 로고    scopus 로고
    • Targeting protein-protein interactions: Suppression of Stat3 dimerization with rationally designed small-molecule, nonpeptidic SH2 domain binders
    • P.T. Gunning, M.P. Glenn, K.A. Siddiquee, W.P. Katt, E. Masson, S.M. Sebti, J. Turkson, and A.D. Hamilton Targeting protein-protein interactions: suppression of Stat3 dimerization with rationally designed small-molecule, nonpeptidic SH2 domain binders ChemBioChem 9 2008 2800 2803 10.1002/cbic.200800291
    • (2008) ChemBioChem , vol.9 , pp. 2800-2803
    • Gunning, P.T.1    Glenn, M.P.2    Siddiquee, K.A.3    Katt, W.P.4    Masson, E.5    Sebti, S.M.6    Turkson, J.7    Hamilton, A.D.8
  • 46
    • 68149145660 scopus 로고    scopus 로고
    • Synthesis of phosphatase-stable, cell-permeable peptidomimetic prodrugs that target the SH2 domain of Stat3
    • P.K. Mandai, W.S. Lião, and J.S. McMurray Synthesis of phosphatase-stable, cell-permeable peptidomimetic prodrugs that target the SH2 domain of Stat3 Org. Lett. 11 2009 3394 3397 10.1021/ol9012662
    • (2009) Org. Lett. , vol.11 , pp. 3394-3397
    • Mandai, P.K.1    Lião, W.S.2    McMurray, J.S.3
  • 47
    • 27144475507 scopus 로고    scopus 로고
    • Investigation of the binding determinants of phosphopeptides targeted to the Src homology 2 domain of the signal transducer and activator of transcription 3. Development of a high-affinity peptide inhibitor
    • D.R.I.V. Coleman, Z. Ren, P.K. Mandal, A.G. Cameron, G.A. Dyer, S. Muranjan, M. Campbell, X. Chen, and J.S. McMurray Investigation of the binding determinants of phosphopeptides targeted to the Src homology 2 domain of the signal transducer and activator of transcription 3. Development of a high-affinity peptide inhibitor J. Med. Chem. 48 2005 6661 6670 10.1021/jm050513m
    • (2005) J. Med. Chem. , vol.48 , pp. 6661-6670
    • Coleman, D.R.I.V.1    Ren, Z.2    Mandal, P.K.3    Cameron, A.G.4    Dyer, G.A.5    Muranjan, S.6    Campbell, M.7    Chen, X.8    McMurray, J.S.9
  • 49
    • 33847682326 scopus 로고    scopus 로고
    • Isoform selective inhibition of STAT1 or STAT3 homo-dimerization via peptidomimetic probes: Structural recognition of STAT SH2 domains
    • P.T. Gunning, W.P. Katt, M. Glenn, K. Siddique, J.S. Kim, R. Jove, S.M. Sebti, J. Turkson, and A.D. Hamilton Isoform selective inhibition of STAT1 or STAT3 homo-dimerization via peptidomimetic probes: structural recognition of STAT SH2 domains Bioorg. Med. Chem. Lett. 17 2007 1875 1878 10.1016/j.bmcl.2007.01.077
    • (2007) Bioorg. Med. Chem. Lett. , vol.17 , pp. 1875-1878
    • Gunning, P.T.1    Katt, W.P.2    Glenn, M.3    Siddique, K.4    Kim, J.S.5    Jove, R.6    Sebti, S.M.7    Turkson, J.8    Hamilton, A.D.9
  • 50
    • 0027090310 scopus 로고
    • Activation of transcription by IFN-gamma:tyrosine phosphorylation of a91-kD DNA binding protein
    • K. Shuai, C. Schindler, V.R. Prezioso, and J.E. Darnell Jr. Activation of transcription by IFN-gamma:tyrosine phosphorylation of a91-kD DNA binding protein Science 258 1992 1808 1812 10.1126/science.1281555
    • (1992) Science , vol.258 , pp. 1808-1812
    • Shuai, K.1    Schindler, C.2    Prezioso, V.R.3    Darnell, J.E.4
  • 51
    • 0026770248 scopus 로고
    • Interferon-dependenttyrosine phosphorylationofalatentcytoplasmictranscriptionfactor
    • C. Schindler, K. Shuai, V.R. Prezioso, and J.E. Darnell Jr. Interferon-dependenttyrosine phosphorylationofalatentcytoplasmictranscriptionfactor Science 257 1992 809 813 10.1126/science.1496401
    • (1992) Science , vol.257 , pp. 809-813
    • Schindler, C.1    Shuai, K.2    Prezioso, V.R.3    Darnell, J.E.4
  • 52
    • 0029799912 scopus 로고    scopus 로고
    • Transcriptionally active Stat1 is required for the antiproliferative effects of both inter- feron alpha and interferon gamma
    • J.F. Bromberg, C.M. Horvath, Z. Wen, R.D. Schreiber, and J.E. Darnell Jr. Transcriptionally active Stat1 is required for the antiproliferative effects of both inter- feron alpha and interferon gamma Proc. Natl. Acad. Sci. U. S. A. 93 1996 7673 7678
    • (1996) Proc. Natl. Acad. Sci. U. S. A. , vol.93 , pp. 7673-7678
    • Bromberg, J.F.1    Horvath, C.M.2    Wen, Z.3    Schreiber, R.D.4    Darnell, J.E.5
  • 53
    • 33750321707 scopus 로고    scopus 로고
    • Interferons, immunity and cancer immunoediting
    • G.P. Dunn, C.M. Koebel, and R.D. Schreiber Interferons, immunity and cancer immunoediting Nat. Rev. Immunol. 6 2006 836 848 10.1038/nri1961
    • (2006) Nat. Rev. Immunol. , vol.6 , pp. 836-848
    • Dunn, G.P.1    Koebel, C.M.2    Schreiber, R.D.3
  • 54
    • 0037061736 scopus 로고    scopus 로고
    • STAT1 negatively regulates angiogenesis, tumorigenicity and metastasis of tumor cells
    • S. Huang, C.D. Bucana, M. Van Arsdall, and I.J. Fidler STAT1 negatively regulates angiogenesis, tumorigenicity and metastasis of tumor cells Oncogene 21 2002 2504 2512 10.1038/sj/onc/1205341
    • (2002) Oncogene , vol.21 , pp. 2504-2512
    • Huang, S.1    Bucana, C.D.2    Van Arsdall, M.3    Fidler, I.J.4
  • 55
    • 84941305615 scopus 로고    scopus 로고
    • Pipeline Pilot, version 7.5, Accelrys, San Diego, CA 92121, USA
    • Pipeline Pilot, version 7.5, Accelrys, San Diego, CA 92121, USA.
  • 56
    • 84941305616 scopus 로고    scopus 로고
    • Filter, version 2., OpenEye Scientific Software, Santa Fe, NM 87508, USA
    • Filter, version 2., OpenEye Scientific Software, Santa Fe, NM 87508, USA.
  • 57
    • 84941305617 scopus 로고    scopus 로고
    • Chemaxon Kft, 1031 Budapest, Hungary
    • Chemaxon Kft, 1031 Budapest, Hungary.
  • 58
    • 84941305618 scopus 로고    scopus 로고
    • SYBYL, version 8.0, Tripos, St.Louis, MO 63101, USA
    • SYBYL, version 8.0, Tripos, St.Louis, MO 63101, USA.
  • 59
    • 62449330667 scopus 로고    scopus 로고
    • Empirical scoring functions for advanced protein-ligand docking with PLANTS
    • O. Korb, T. Stützle, and T.E. Exner Empirical scoring functions for advanced protein-ligand docking with PLANTS J. Chem. Inf. Model. 49 2009 84 96 10.1021/ci800298z
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 84-96
    • Korb, O.1    Stützle, T.2    Exner, T.E.3
  • 61
    • 76149120388 scopus 로고    scopus 로고
    • AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
    • O. Trott, and A.J. Olson AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading J. Comput. Chem. 31 2010 455 461 10.1002/jcc.21334
    • (2010) J. Comput. Chem. , vol.31 , pp. 455-461
    • Trott, O.1    Olson, A.J.2
  • 62
    • 84862013443 scopus 로고    scopus 로고
    • Pteros: Fast and easy to use open-source C++ library for molecular analysis
    • S.O. Yesylevskyy Pteros: fast and easy to use open-source C++ library for molecular analysis J. Comput. Chem. 33 2012 1632 1636 10.1002/jcc.22989
    • (2012) J. Comput. Chem. , vol.33 , pp. 1632-1636
    • Yesylevskyy, S.O.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.