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Volumn 50, Issue 5, 2010, Pages 906-923

Targeting the BH3 domain mediated protein-protein interaction of Bcl-Xl through virtual screening

Author keywords

[No Author keywords available]

Indexed keywords

CELL CULTURE; CELL DEATH; MACHINERY;

EID: 77952788585     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1000373     Document Type: Article
Times cited : (30)

References (89)
  • 1
    • 33747469017 scopus 로고    scopus 로고
    • Modulation of apoptosis signaling for cancer therapy
    • Fulda, S.; Debatin, K. M. Modulation of apoptosis signaling for cancer therapy Arch. Immunol. Ther. Exp. 2006, 54 (3) 173-175
    • (2006) Arch. Immunol. Ther. Exp. , vol.54 , Issue.3 , pp. 173-175
    • Fulda, S.1    Debatin, K.M.2
  • 2
    • 0028943734 scopus 로고
    • Apoptosis in the pathogenesis and treatment of disease
    • Thompson, C. B. Apoptosis in the pathogenesis and treatment of disease Science 1995, 267 (5203) 1456-1462
    • (1995) Science , vol.267 , Issue.5203 , pp. 1456-1462
    • Thompson, C.B.1
  • 3
    • 0034614637 scopus 로고    scopus 로고
    • The hallmarks of cancer
    • Hanahan, D.; Weinberg, R. A. The hallmarks of cancer Cell 2000, 100 (1) 57-70
    • (2000) Cell , vol.100 , Issue.1 , pp. 57-70
    • Hanahan, D.1    Weinberg, R.A.2
  • 4
    • 0842281645 scopus 로고    scopus 로고
    • Cell death: Critical control points
    • Danial, N. N.; Korsmeyer, S. J. Cell death: critical control points Cell 2004, 116 (2) 205-219
    • (2004) Cell , vol.116 , Issue.2 , pp. 205-219
    • Danial, N.N.1    Korsmeyer, S.J.2
  • 5
    • 0034641932 scopus 로고    scopus 로고
    • From bench to clinic with apoptosis-based therapeutic agents
    • Nicholson, D. W. From bench to clinic with apoptosis-based therapeutic agents Nature 2000, 407 (6805) 810-816
    • (2000) Nature , vol.407 , Issue.6805 , pp. 810-816
    • Nicholson, D.W.1
  • 6
    • 77952763863 scopus 로고    scopus 로고
    • Receptors of TRAIL as the target of apoptosis-inducing therapy for genitourinary cancers
    • Kakehi, Y.; Zeng, Y. Receptors of TRAIL as the target of apoptosis-inducing therapy for genitourinary cancers New Perspect. Cancer Res. Ther. 2005, 377-391
    • (2005) New Perspect. Cancer Res. Ther. , pp. 377-391
    • Kakehi, Y.1    Zeng, Y.2
  • 7
    • 77952758011 scopus 로고    scopus 로고
    • Resistance to apoptosis in cancer therapy
    • McConkey, D. J. Resistance to apoptosis in cancer therapy Death Recept. Cancer Ther. 2005, 43-64
    • (2005) Death Recept. Cancer Ther. , pp. 43-64
    • McConkey, D.J.1
  • 8
    • 33746741050 scopus 로고    scopus 로고
    • Targeted induction of apoptosis for cancer therapy: Current progress and prospects
    • Bremer, E.; van Dam, G.; Kroesen, B. J.; de Leij, L.; Helfrich, W. Targeted induction of apoptosis for cancer therapy: current progress and prospects Trends Mol. Med. 2006, 12 (8) 382-393
    • (2006) Trends Mol. Med. , vol.12 , Issue.8 , pp. 382-393
    • Bremer, E.1    Van Dam, G.2    Kroesen, B.J.3    De Leij, L.4    Helfrich, W.5
  • 9
    • 33750632135 scopus 로고    scopus 로고
    • Apoptosis in the treatment of cancer: A promise kept
    • Meng, X. W.; Lee, S. H.; Kaufmann, S. H. Apoptosis in the treatment of cancer: a promise kept Curr. Opin. Cell Biol. 2006, 18 (6) 668-676
    • (2006) Curr. Opin. Cell Biol. , vol.18 , Issue.6 , pp. 668-676
    • Meng, X.W.1    Lee, S.H.2    Kaufmann, S.H.3
  • 10
    • 0037394124 scopus 로고    scopus 로고
    • Designing screens: How to make your hits a hit
    • Walters, W. P.; Namchuk, M. Designing screens: how to make your hits a hit Nat. Rev. Drug. Discovery 2003, 2 (4) 259-266
    • (2003) Nat. Rev. Drug. Discovery , vol.2 , Issue.4 , pp. 259-266
    • Walters, W.P.1    Namchuk, M.2
  • 11
    • 6344246456 scopus 로고    scopus 로고
    • TNF-related apoptosis-inducing ligand (TRAIL): A potential candidate for combined treatment of hematological malignancies
    • Secchiero, P.; Vaccarezza, M.; Gonelli, A.; Zauli, G. TNF-related apoptosis-inducing ligand (TRAIL): a potential candidate for combined treatment of hematological malignancies Curr. Pharm. Des. 2004, 10 (29) 3673-3681
    • (2004) Curr. Pharm. Des. , vol.10 , Issue.29 , pp. 3673-3681
    • Secchiero, P.1    Vaccarezza, M.2    Gonelli, A.3    Zauli, G.4
  • 13
    • 52649109068 scopus 로고    scopus 로고
    • The TRAIL apoptotic pathway in cancer onset, progression and therapy
    • Johnstone, R. W.; Frew, A. J.; Smyth, M. J. The TRAIL apoptotic pathway in cancer onset, progression and therapy Nat. Rev. Cancer 2008, 8 (10) 782-798
    • (2008) Nat. Rev. Cancer , vol.8 , Issue.10 , pp. 782-798
    • Johnstone, R.W.1    Frew, A.J.2    Smyth, M.J.3
  • 14
    • 1442286330 scopus 로고    scopus 로고
    • The role of Bcl-2 family members in tumorigenesis
    • Kirkin, V.; Joos, S.; Zornig, M. The role of Bcl-2 family members in tumorigenesis Biochim. Biophys. Acta 2004, 1644 (2-3) 229-249
    • (2004) Biochim. Biophys. Acta , vol.1644 , Issue.2-3 , pp. 229-249
    • Kirkin, V.1    Joos, S.2    Zornig, M.3
  • 15
    • 0036710477 scopus 로고    scopus 로고
    • Prospects for targeting the Bcl-2 family of proteins to develop novel cytotoxic drugs
    • Baell, J. B.; Huang, D. C. Prospects for targeting the Bcl-2 family of proteins to develop novel cytotoxic drugs Biochem. Pharmacol. 2002, 64 (5-6) 851-863
    • (2002) Biochem. Pharmacol. , vol.64 , Issue.5-6 , pp. 851-863
    • Baell, J.B.1    Huang, D.C.2
  • 16
    • 0030810926 scopus 로고    scopus 로고
    • X-linked IAP is a direct inhibitor of cell-death proteases
    • Deveraux, Q. L.; Takahashi, R.; Salvesen, G. S.; Reed, J. C. X-linked IAP is a direct inhibitor of cell-death proteases Nature 1997, 388 (6639) 300-304
    • (1997) Nature , vol.388 , Issue.6639 , pp. 300-304
    • Deveraux, Q.L.1    Takahashi, R.2    Salvesen, G.S.3    Reed, J.C.4
  • 17
    • 0034616945 scopus 로고    scopus 로고
    • Smac, a mitochondrial protein that promotes cytochrome c-dependent caspase activation by eliminating IAP inhibition
    • Du, C.; Fang, M.; Li, Y.; Li, L.; Wang, X. Smac, a mitochondrial protein that promotes cytochrome c-dependent caspase activation by eliminating IAP inhibition Cell 2000, 102 (1) 33-42
    • (2000) Cell , vol.102 , Issue.1 , pp. 33-42
    • Du, C.1    Fang, M.2    Li, Y.3    Li, L.4    Wang, X.5
  • 19
    • 4444243683 scopus 로고    scopus 로고
    • A small molecule Smac mimic potentiates TRAIL- and TNFalpha-mediated cell death
    • Li, L.; Thomas, R. M.; Suzuki, H.; De Brabander, J. K.; Wang, X.; Harran, P. G. A small molecule Smac mimic potentiates TRAIL- and TNFalpha-mediated cell death Science 2004, 305 (5689) 1471-1474
    • (2004) Science , vol.305 , Issue.5689 , pp. 1471-1474
    • Li, L.1    Thomas, R.M.2    Suzuki, H.3    De Brabander, J.K.4    Wang, X.5    Harran, P.G.6
  • 21
    • 70349329714 scopus 로고    scopus 로고
    • Smac mimetics as new cancer therapeutics
    • Chen, D. J.; Huerta, S. Smac mimetics as new cancer therapeutics Anti-Cancer Drugs 2009, 20 (8) 646-658
    • (2009) Anti-Cancer Drugs , vol.20 , Issue.8 , pp. 646-658
    • Chen, D.J.1    Huerta, S.2
  • 22
    • 0037317840 scopus 로고    scopus 로고
    • Inhibiting the p53-MDM2 interaction: An important target for cancer therapy
    • Chene, P. Inhibiting the p53-MDM2 interaction: an important target for cancer therapy Nat. Rev. Cancer 2003, 3 (2) 102-109
    • (2003) Nat. Rev. Cancer , vol.3 , Issue.2 , pp. 102-109
    • Chene, P.1
  • 23
    • 33846148980 scopus 로고    scopus 로고
    • Outcomes of p53 activation - Spoilt for choice
    • Vousden, K. H. Outcomes of p53 activation - spoilt for choice J. Cell Sci. 2006, 119 (Pt 24) 5015-5020
    • (2006) J. Cell Sci. , vol.119 , Issue.PART 24 , pp. 5015-5020
    • Vousden, K.H.1
  • 24
    • 57049114832 scopus 로고    scopus 로고
    • The genetics of the p53 pathway, apoptosis and cancer therapy
    • Vazquez, A.; Bond, E. E.; Levine, A. J.; Bond, G. L. The genetics of the p53 pathway, apoptosis and cancer therapy Nat. Rev. Drug. Discovery 2008, 7 (12) 979-987
    • (2008) Nat. Rev. Drug. Discovery , vol.7 , Issue.12 , pp. 979-987
    • Vazquez, A.1    Bond, E.E.2    Levine, A.J.3    Bond, G.L.4
  • 25
    • 73449136845 scopus 로고    scopus 로고
    • Recent advances in validating MDM2 as a cancer target
    • Rayburn, E. R.; Ezell, S. J.; Zhang, R. Recent advances in validating MDM2 as a cancer target Anti-Cancer Agents Med. Chem. 2009, 9 (8) 882-903
    • (2009) Anti-Cancer Agents Med. Chem. , vol.9 , Issue.8 , pp. 882-903
    • Rayburn, E.R.1    Ezell, S.J.2    Zhang, R.3
  • 28
    • 22144454687 scopus 로고    scopus 로고
    • Strategies for targeting protein-protein interactions with synthetic agents
    • Yin, H.; Hamilton, A. D. Strategies for targeting protein-protein interactions with synthetic agents Angew. Chem., Int. Ed. Engl. 2005, 44 (27) 4130-4163
    • (2005) Angew. Chem., Int. Ed. Engl. , vol.44 , Issue.27 , pp. 4130-4163
    • Yin, H.1    Hamilton, A.D.2
  • 29
    • 0037061646 scopus 로고    scopus 로고
    • Inhibition of protein-protein association by small molecules: Approaches and progress
    • Toogood, P. L. Inhibition of protein-protein association by small molecules: approaches and progress J. Med. Chem. 2002, 45 (8) 1543-1558
    • (2002) J. Med. Chem. , vol.45 , Issue.8 , pp. 1543-1558
    • Toogood, P.L.1
  • 30
    • 33750610998 scopus 로고    scopus 로고
    • Drugs targeting protein-protein interactions
    • Chene, P. Drugs targeting protein-protein interactions ChemMedChem 2006, 1 (4) 400-411
    • (2006) ChemMedChem , vol.1 , Issue.4 , pp. 400-411
    • Chene, P.1
  • 31
    • 34447290874 scopus 로고    scopus 로고
    • Protein-protein interaction inhibitors: Small molecules from screening techniques
    • Fletcher, S.; Hamilton, A. D. Protein-protein interaction inhibitors: small molecules from screening techniques Curr. Top. Med. Chem. 2007, 7 (10) 922-927
    • (2007) Curr. Top. Med. Chem. , vol.7 , Issue.10 , pp. 922-927
    • Fletcher, S.1    Hamilton, A.D.2
  • 32
    • 0036469060 scopus 로고    scopus 로고
    • Unraveling hot spots in binding interfaces: Progress and challenges
    • DeLano, W. L. Unraveling hot spots in binding interfaces: progress and challenges Curr. Opin. Struct. Biol. 2002, 12 (1) 14-20
    • (2002) Curr. Opin. Struct. Biol. , vol.12 , Issue.1 , pp. 14-20
    • Delano, W.L.1
  • 33
    • 0037093645 scopus 로고    scopus 로고
    • Dissecting protein-protein recognition sites
    • Chakrabarti, P.; Janin, J. Dissecting protein-protein recognition sites Proteins 2002, 47 (3) 334-343
    • (2002) Proteins , vol.47 , Issue.3 , pp. 334-343
    • Chakrabarti, P.1    Janin, J.2
  • 34
    • 1442310957 scopus 로고    scopus 로고
    • Structural biology of the Bcl-2 family of proteins
    • Petros, A. M.; Olejniczak, E. T.; Fesik, S. W. Structural biology of the Bcl-2 family of proteins Biochim. Biophys. Acta 2004, 1644 (2-3) 83-94
    • (2004) Biochim. Biophys. Acta , vol.1644 , Issue.2-3 , pp. 83-94
    • Petros, A.M.1    Olejniczak, E.T.2    Fesik, S.W.3
  • 37
    • 34648841081 scopus 로고    scopus 로고
    • In vitro analysis of Bcl-2 proteins in mitochondria and endoplasmic reticulum: Similarities in antiapoptotic functions and differences in regulation
    • Yano, M.; Terada, K.; Gotoh, T.; Mori, M. In vitro analysis of Bcl-2 proteins in mitochondria and endoplasmic reticulum: similarities in antiapoptotic functions and differences in regulation Exp. Cell Res. 2007, 313 (17) 3767-3778
    • (2007) Exp. Cell Res. , vol.313 , Issue.17 , pp. 3767-3778
    • Yano, M.1    Terada, K.2    Gotoh, T.3    Mori, M.4
  • 38
    • 0038025230 scopus 로고    scopus 로고
    • Association of Bax and Bak homo-oligomers in mitochondria. Bax requirement for Bak reorganization and cytochrome c release
    • Mikhailov, V.; Mikhailova, M.; Degenhardt, K.; Venkatachalam, M. A.; White, E.; Saikumar, P. Association of Bax and Bak homo-oligomers in mitochondria. Bax requirement for Bak reorganization and cytochrome c release J. Biol. Chem. 2003, 278 (7) 5367-5376
    • (2003) J. Biol. Chem. , vol.278 , Issue.7 , pp. 5367-5376
    • Mikhailov, V.1    Mikhailova, M.2    Degenhardt, K.3    Venkatachalam, M.A.4    White, E.5    Saikumar, P.6
  • 39
    • 2442508985 scopus 로고    scopus 로고
    • Critical upstream signals of cytochrome C release induced by a novel Bcl-2 inhibitor
    • An, J.; Chen, Y.; Huang, Z. Critical upstream signals of cytochrome C release induced by a novel Bcl-2 inhibitor J. Biol. Chem. 2004, 279 (18) 19133-19140
    • (2004) J. Biol. Chem. , vol.279 , Issue.18 , pp. 19133-19140
    • An, J.1    Chen, Y.2    Huang, Z.3
  • 40
    • 0037134488 scopus 로고    scopus 로고
    • Bax and Bak independently promote cytochrome C release from mitochondria
    • Degenhardt, K.; Sundararajan, R.; Lindsten, T.; Thompson, C.; White, E. Bax and Bak independently promote cytochrome C release from mitochondria J. Biol. Chem. 2002, 277 (16) 14127-14134
    • (2002) J. Biol. Chem. , vol.277 , Issue.16 , pp. 14127-14134
    • Degenhardt, K.1    Sundararajan, R.2    Lindsten, T.3    Thompson, C.4    White, E.5
  • 41
    • 0035955406 scopus 로고    scopus 로고
    • Molecular biology. Glimpses of a tiny RNA world
    • Ruvkun, G. Molecular biology. Glimpses of a tiny RNA world Science 2001, 294 (5543) 797-799
    • (2001) Science , vol.294 , Issue.5543 , pp. 797-799
    • Ruvkun, G.1
  • 42
    • 38949123709 scopus 로고    scopus 로고
    • Small-molecule inhibitors of Bcl-2 family proteins as therapeutic agents in cancer
    • Mohammad, R.; Giri, A.; Goustin, A. S. Small-molecule inhibitors of Bcl-2 family proteins as therapeutic agents in cancer Recent Pat. Anti-Cancer Drug Discovery 2008, 3 (1) 20-30
    • (2008) Recent Pat. Anti-Cancer Drug Discovery , vol.3 , Issue.1 , pp. 20-30
    • Mohammad, R.1    Giri, A.2    Goustin, A.S.3
  • 43
    • 0034327411 scopus 로고    scopus 로고
    • An informatics approach identifying markers of chemosensitivity in human cancer cell lines
    • Amundson, S. A.; Myers, T. G.; Scudiero, D.; Kitada, S.; Reed, J. C.; Fornace, A. J., Jr. An informatics approach identifying markers of chemosensitivity in human cancer cell lines Cancer Res. 2000, 60 (21) 6101-6110
    • (2000) Cancer Res. , vol.60 , Issue.21 , pp. 6101-6110
    • Amundson, S.A.1    Myers, T.G.2    Scudiero, D.3    Kitada, S.4    Reed, J.C.5    Fornace Jr., A.J.6
  • 44
    • 0031575073 scopus 로고    scopus 로고
    • Promise and problems of Bcl-2 antisense therapy
    • Reed, J. C. Promise and problems of Bcl-2 antisense therapy J. Natl. Cancer Inst. 1997, 89 (14) 988-990
    • (1997) J. Natl. Cancer Inst. , vol.89 , Issue.14 , pp. 988-990
    • Reed, J.C.1
  • 45
    • 4544340539 scopus 로고    scopus 로고
    • Antiapoptotic BCL-2 is required for maintenance of a model leukemia
    • Letai, A.; Sorcinelli, M. D.; Beard, C.; Korsmeyer, S. J. Antiapoptotic BCL-2 is required for maintenance of a model leukemia Cancer Cell 2004, 6 (3) 241-249
    • (2004) Cancer Cell , vol.6 , Issue.3 , pp. 241-249
    • Letai, A.1    Sorcinelli, M.D.2    Beard, C.3    Korsmeyer, S.J.4
  • 46
    • 0035992688 scopus 로고    scopus 로고
    • Oblimersen Bcl-2 antisense: Facilitating apoptosis in anticancer treatment
    • Klasa, R. J.; Gillum, A. M.; Klem, R. E.; Frankel, S. R. Oblimersen Bcl-2 antisense: facilitating apoptosis in anticancer treatment Antisense Nucleic Acid Drug Dev. 2002, 12 (3) 193-213
    • (2002) Antisense Nucleic Acid Drug Dev. , vol.12 , Issue.3 , pp. 193-213
    • Klasa, R.J.1    Gillum, A.M.2    Klem, R.E.3    Frankel, S.R.4
  • 47
    • 0038377441 scopus 로고    scopus 로고
    • Enhancing the efficacy of chemotherapeutic drugs by the suppression of antiapoptotic cellular defense
    • Minko, T.; Dharap, S. S.; Fabbricatore, A. T. Enhancing the efficacy of chemotherapeutic drugs by the suppression of antiapoptotic cellular defense Cancer Detect. Prev. 2003, 27 (3) 193-202
    • (2003) Cancer Detect. Prev. , vol.27 , Issue.3 , pp. 193-202
    • Minko, T.1    Dharap, S.S.2    Fabbricatore, A.T.3
  • 49
    • 0035150803 scopus 로고    scopus 로고
    • Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL
    • Degterev, A.; Lugovskoy, A.; Cardone, M.; Mulley, B.; Wagner, G.; Mitchison, T.; Yuan, J. Identification of small-molecule inhibitors of interaction between the BH3 domain and Bcl-xL Nat. Cell Biol. 2001, 3 (2) 173-182
    • (2001) Nat. Cell Biol. , vol.3 , Issue.2 , pp. 173-182
    • Degterev, A.1    Lugovskoy, A.2    Cardone, M.3    Mulley, B.4    Wagner, G.5    Mitchison, T.6    Yuan, J.7
  • 52
    • 0141569444 scopus 로고    scopus 로고
    • Discovery, characterization, and structure-activity relationships studies of proapoptotic polyphenols targeting B-cell lymphocyte/leukemia-2 proteins
    • Kitada, S.; Leone, M.; Sareth, S.; Zhai, D.; Reed, J. C.; Pellecchia, M. Discovery, characterization, and structure-activity relationships studies of proapoptotic polyphenols targeting B-cell lymphocyte/leukemia-2 proteins J. Med. Chem. 2003, 46 (20) 4259-4264
    • (2003) J. Med. Chem. , vol.46 , Issue.20 , pp. 4259-4264
    • Kitada, S.1    Leone, M.2    Sareth, S.3    Zhai, D.4    Reed, J.C.5    Pellecchia, M.6
  • 55
    • 0347626109 scopus 로고    scopus 로고
    • Cancer prevention by tea polyphenols is linked to their direct inhibition of antiapoptotic Bcl-2-family proteins
    • Leone, M.; Zhai, D.; Sareth, S.; Kitada, S.; Reed, J. C.; Pellecchia, M. Cancer prevention by tea polyphenols is linked to their direct inhibition of antiapoptotic Bcl-2-family proteins Cancer Res. 2003, 63 (23) 8118-8121
    • (2003) Cancer Res. , vol.63 , Issue.23 , pp. 8118-8121
    • Leone, M.1    Zhai, D.2    Sareth, S.3    Kitada, S.4    Reed, J.C.5    Pellecchia, M.6
  • 56
    • 7444241537 scopus 로고    scopus 로고
    • Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2
    • Real, P. J.; Cao, Y.; Wang, R.; Nikolovska-Coleska, Z.; Sanz-Ortiz, J.; Wang, S.; Fernandez-Luna, J. L. Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2 Cancer Res. 2004, 64 (21) 7947-7953
    • (2004) Cancer Res. , vol.64 , Issue.21 , pp. 7947-7953
    • Real, P.J.1    Cao, Y.2    Wang, R.3    Nikolovska-Coleska, Z.4    Sanz-Ortiz, J.5    Wang, S.6    Fernandez-Luna, J.L.7
  • 58
    • 34250315396 scopus 로고    scopus 로고
    • Obatoclax mesylate
    • Wang, Y. Obatoclax Mesylate Drugs Future 2007, 32 (3) 228-233
    • (2007) Drugs Future , vol.32 , Issue.3 , pp. 228-233
    • Wang, Y.1
  • 59
    • 0037138678 scopus 로고    scopus 로고
    • A novel approach for characterizing protein ligand complexes: Molecular basis for specificity of small-molecule Bcl-2 inhibitors
    • Lugovskoy, A. A.; Degterev, A. I.; Fahmy, A. F.; Zhou, P.; Gross, J. D.; Yuan, J.; Wagner, G. A novel approach for characterizing protein ligand complexes: molecular basis for specificity of small-molecule Bcl-2 inhibitors J. Am. Chem. Soc. 2002, 124 (7) 1234-1240
    • (2002) J. Am. Chem. Soc. , vol.124 , Issue.7 , pp. 1234-1240
    • Lugovskoy, A.A.1    Degterev, A.I.2    Fahmy, A.F.3    Zhou, P.4    Gross, J.D.5    Yuan, J.6    Wagner, G.7
  • 63
    • 21444453119 scopus 로고    scopus 로고
    • High-throughput screening-driven lead discovery: Meeting the challenges of finding new therapeutics
    • Posner, B. A. High-throughput screening-driven lead discovery: meeting the challenges of finding new therapeutics Curr. Opin. Drug Discovery Dev. 2005, 8 (4) 487-494
    • (2005) Curr. Opin. Drug Discovery Dev. , vol.8 , Issue.4 , pp. 487-494
    • Posner, B.A.1
  • 66
    • 48149103752 scopus 로고    scopus 로고
    • Discovery of VHR phosphatase inhibitors with micromolar activity based on structure-based virtual screening
    • Park, H.; Jung, S. K.; Jeong, D. G.; Ryu, S. E.; Kim, S. J. Discovery of VHR phosphatase inhibitors with micromolar activity based on structure-based virtual screening ChemMedChem 2008, 3 (6) 877-880
    • (2008) ChemMedChem , vol.3 , Issue.6 , pp. 877-880
    • Park, H.1    Jung, S.K.2    Jeong, D.G.3    Ryu, S.E.4    Kim, S.J.5
  • 67
    • 69749098087 scopus 로고    scopus 로고
    • Discovery of ligands for the human intestinal Di-/Tripeptide transporter (hPEPT1) using a QSAR-assisted virtual screening strategy
    • Larsen, S. B.; Omkvist, D. H.; Brodin, B.; Nielsen, C. U.; Steffansen, B.; Olsen, L.; Jorgensen, F. S. Discovery of ligands for the human intestinal Di-/Tripeptide transporter (hPEPT1) using a QSAR-assisted virtual screening strategy ChemMedChem 2009, 4 (9) 1439-1445
    • (2009) ChemMedChem , vol.4 , Issue.9 , pp. 1439-1445
    • Larsen, S.B.1    Omkvist, D.H.2    Brodin, B.3    Nielsen, C.U.4    Steffansen, B.5    Olsen, L.6    Jorgensen, F.S.7
  • 68
    • 58549089210 scopus 로고    scopus 로고
    • Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors
    • Heinke, R.; Spannhoff, A.; Meier, R.; Trojer, P.; Bauer, I.; Jung, M.; Sippl, W. Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors ChemMedChem 2009, 4 (1) 69-77
    • (2009) ChemMedChem , vol.4 , Issue.1 , pp. 69-77
    • Heinke, R.1    Spannhoff, A.2    Meier, R.3    Trojer, P.4    Bauer, I.5    Jung, M.6    Sippl, W.7
  • 69
    • 62749083700 scopus 로고    scopus 로고
    • In silico screening for PTPN22 inhibitors: Active hits from an inactive phosphatase conformation
    • Wu, S.; Bottini, M.; Rickert, R. C.; Mustelin, T.; Tautz, L. In silico screening for PTPN22 inhibitors: active hits from an inactive phosphatase conformation ChemMedChem 2009, 4 (3) 440-444
    • (2009) ChemMedChem , vol.4 , Issue.3 , pp. 440-444
    • Wu, S.1    Bottini, M.2    Rickert, R.C.3    Mustelin, T.4    Tautz, L.5
  • 71
    • 84920794406 scopus 로고    scopus 로고
    • Accessed March 15
    • Fang, X.; Wang, R. The Ki Calculator; http://sw16.im.med.umich.edu/ software/calc-ki. Accessed March 15, 2010.
    • (2010) The Ki Calculator
    • Fang, X.1    Wang, R.2
  • 73
    • 10644241872 scopus 로고    scopus 로고
    • Identification of novel parasitic cysteine protease inhibitors using virtual screening. 1. The ChemBridge database
    • Desai, P. V.; Patny, A.; Sabnis, Y.; Tekwani, B.; Gut, J.; Rosenthal, P.; Srivastava, A.; Avery, M. Identification of novel parasitic cysteine protease inhibitors using virtual screening. 1. The ChemBridge database J. Med. Chem. 2004, 47 (26) 6609-6615
    • (2004) J. Med. Chem. , vol.47 , Issue.26 , pp. 6609-6615
    • Desai, P.V.1    Patny, A.2    Sabnis, Y.3    Tekwani, B.4    Gut, J.5    Rosenthal, P.6    Srivastava, A.7    Avery, M.8
  • 74
    • 33644854957 scopus 로고    scopus 로고
    • Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory
    • Desai, P. V.; Patny, A.; Gut, J.; Rosenthal, P. J.; Tekwani, B.; Srivastava, A.; Avery, M. Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory J. Med. Chem. 2006, 49 (5) 1576-1584
    • (2006) J. Med. Chem. , vol.49 , Issue.5 , pp. 1576-1584
    • Desai, P.V.1    Patny, A.2    Gut, J.3    Rosenthal, P.J.4    Tekwani, B.5    Srivastava, A.6    Avery, M.7
  • 75
    • 41649107991 scopus 로고    scopus 로고
    • Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits
    • Mukherjee, P.; Desai, P.; Ross, L.; White, E. L.; Avery, M. A. Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits Bioorg. Med. Chem. 2008, 16 (7) 4138-4149
    • (2008) Bioorg. Med. Chem. , vol.16 , Issue.7 , pp. 4138-4149
    • Mukherjee, P.1    Desai, P.2    Ross, L.3    White, E.L.4    Avery, M.A.5
  • 76
    • 0036680063 scopus 로고    scopus 로고
    • Protein flexibility and drug design: How to hit a moving target
    • Carlson, H. A. Protein flexibility and drug design: how to hit a moving target Curr. Opin. Chem. Biol. 2002, 6 (4) 447-452
    • (2002) Curr. Opin. Chem. Biol. , vol.6 , Issue.4 , pp. 447-452
    • Carlson, H.A.1
  • 77
    • 0031592919 scopus 로고    scopus 로고
    • Flexible docking of a ligand peptide to a receptor protein by multicanonical molecular dynamics simulation
    • 5
    • Nakajima, N.; Higo, J.; Kidera, A.; Nakamura, H. Flexible docking of a ligand peptide to a receptor protein by multicanonical molecular dynamics simulation Chem. Phys. Lett. 1997, 278 (4,5,6) 297-301
    • (1997) Chem. Phys. Lett. , vol.278 , Issue.4-6 , pp. 297-301
    • Nakajima, N.1    Higo, J.2    Kidera, A.3    Nakamura, H.4
  • 78
    • 0029979312 scopus 로고    scopus 로고
    • Fitting an inhibitor into the active site of thermolysin: A molecular dynamics case study
    • Wasserman, Z. R.; Hodge, C. N. Fitting an inhibitor into the active site of thermolysin: a molecular dynamics case study Proteins 1996, 24 (2) 227-237
    • (1996) Proteins , vol.24 , Issue.2 , pp. 227-237
    • Wasserman, Z.R.1    Hodge, C.N.2
  • 79
    • 0028291376 scopus 로고
    • Molecular dynamics simulation of the docking of substrates to proteins
    • Di Nola, A.; Roccatano, D.; Berendsen, H. J. Molecular dynamics simulation of the docking of substrates to proteins Proteins 1994, 19 (3) 174-182
    • (1994) Proteins , vol.19 , Issue.3 , pp. 174-182
    • Di Nola, A.1    Roccatano, D.2    Berendsen, H.J.3
  • 80
    • 0033135477 scopus 로고    scopus 로고
    • Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation
    • Mangoni, M.; Roccatano, D.; Di Nola, A. Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation Proteins 1999, 35 (2) 153-162
    • (1999) Proteins , vol.35 , Issue.2 , pp. 153-162
    • Mangoni, M.1    Roccatano, D.2    Di Nola, A.3
  • 81
    • 31544450787 scopus 로고    scopus 로고
    • Novel procedure for modeling ligand/receptor induced fit effects
    • Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R. Novel procedure for modeling ligand/receptor induced fit effects J. Med. Chem. 2006, 49 (2) 534-553
    • (2006) J. Med. Chem. , vol.49 , Issue.2 , pp. 534-553
    • Sherman, W.1    Day, T.2    Jacobson, M.P.3    Friesner, R.A.4    Farid, R.5
  • 82
    • 0033974667 scopus 로고    scopus 로고
    • Accommodating protein flexibility in computational drug design
    • Carlson, H. A.; McCammon, J. A. Accommodating protein flexibility in computational drug design Mol. Pharmacol. 2000, 57 (2) 213-218
    • (2000) Mol. Pharmacol. , vol.57 , Issue.2 , pp. 213-218
    • Carlson, H.A.1    McCammon, J.A.2
  • 83
    • 0026310932 scopus 로고
    • Soft docking": Matching of molecular surface cubes
    • Jiang, F.; Kim, S. H. Soft docking": matching of molecular surface cubes J. Mol. Biol. 1991, 219 (1) 79-102
    • (1991) J. Mol. Biol. , vol.219 , Issue.1 , pp. 79-102
    • Jiang, F.1    Kim, S.H.2
  • 84
    • 0031581852 scopus 로고    scopus 로고
    • Molecular docking to ensembles of protein structures
    • Knegtel, R. M.; Kuntz, I. D.; Oshiro, C. M. Molecular docking to ensembles of protein structures J. Mol. Biol. 1997, 266 (2) 424-440
    • (1997) J. Mol. Biol. , vol.266 , Issue.2 , pp. 424-440
    • Knegtel, R.M.1    Kuntz, I.D.2    Oshiro, C.M.3
  • 85
    • 0034465217 scopus 로고    scopus 로고
    • A method for including protein flexibility in protein-ligand docking: Improving tools for database mining and virtual screening
    • 302-244
    • Broughton, H. B. A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening J. Mol. Graph. Model. 2000, 18 (3) 247-257 302-244
    • (2000) J. Mol. Graph. Model. , vol.18 , Issue.3 , pp. 247-257
    • Broughton, H.B.1
  • 86
    • 0036137713 scopus 로고    scopus 로고
    • Automated docking to multiple target structures: Incorporation of protein mobility and structural water heterogeneity in AutoDock
    • Osterberg, F.; Morris, G. M.; Sanner, M. F.; Olson, A. J.; Goodsell, D. S. Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock Proteins 2002, 46 (1) 34-40
    • (2002) Proteins , vol.46 , Issue.1 , pp. 34-40
    • Osterberg, F.1    Morris, G.M.2    Sanner, M.F.3    Olson, A.J.4    Goodsell, D.S.5
  • 87
    • 33745088619 scopus 로고    scopus 로고
    • Use of an induced fit receptor structure in virtual screening
    • Sherman, W.; Beard, H. S.; Farid, R. Use of an induced fit receptor structure in virtual screening Chem. Biol. Drug. Des. 2006, 67 (1) 83-84
    • (2006) Chem. Biol. Drug. Des. , vol.67 , Issue.1 , pp. 83-84
    • Sherman, W.1    Beard, H.S.2    Farid, R.3
  • 88
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A free database of commercially available compounds for virtual screening
    • Irwin, J. J.; Shoichet, B. K. ZINC - a free database of commercially available compounds for virtual screening J. Chem. Inf. Model. 2005, 45 (1) 177-182
    • (2005) J. Chem. Inf. Model. , vol.45 , Issue.1 , pp. 177-182
    • Irwin, J.J.1    Shoichet, B.K.2
  • 89
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection
    • Hopkins, A. L.; Groom, C. R.; Alex, A. Ligand efficiency: a useful metric for lead selection Drug Discovery Today 2004, 9 (10) 430-431
    • (2004) Drug Discovery Today , vol.9 , Issue.10 , pp. 430-431
    • Hopkins, A.L.1    Groom, C.R.2    Alex, A.3


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