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Volumn 3, Issue 1, 2010, Pages 20-28

Pharmacophore modeling and virtual screening studies to design potential protein tyrosine phosphatase 1B inhibitors as new leads

Author keywords

Catalyst; Diabetes; Insulin; Obesity; Pharmacophore; Protein tyrosine phosphatase 1B

Indexed keywords


EID: 74549196921     PISSN: None     EISSN: 0974276X     Source Type: Journal    
DOI: 10.4172/jpb.1000117     Document Type: Article
Times cited : (9)

References (35)
  • 1
    • 0037026184 scopus 로고    scopus 로고
    • Synthesis and PTB1B Inhibition of 1,2-Naphthoquinone Derivatives as Potent Anti-Diabetic Agents
    • Ahn JH, Cho SY, Ha JD, Chu SY, Jung SH, et al. (2002) Synthesis and PTB1B Inhibition of 1,2-Naphthoquinone Derivatives as Potent Anti-Diabetic Agents. Bioorg Med Chem Lett 12: 1941-1946.
    • (2002) Bioorg Med Chem Lett , vol.12 , pp. 1941-1946
    • Ahn, J.H.1    Cho, S.Y.2    Ha, J.D.3    Chu, S.Y.4    Jung, S.H.5
  • 2
    • 34249821612 scopus 로고    scopus 로고
    • Pharmacophore Modeling for Protein Tyrosine Phosphatase 1B Inhibitors
    • Bharatham K, Bharatham N, Lee KW (2007) Pharmacophore Modeling for Protein Tyrosine Phosphatase 1B Inhibitors. Arch Pharm Res 30: 533-542.
    • (2007) Arch Pharm Res , vol.30 , pp. 533-542
    • Bharatham, K.1    Bharatham, N.2    Lee, K.W.3
  • 3
    • 20944443643 scopus 로고    scopus 로고
    • Structurebased design of protein tyrosine phosphatase-1B inhibitors
    • Black E, Breed J, Breeze AL, Embrey K, Garcia R, et al. (2005) Structurebased design of protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett 15: 2503-2507.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 2503-2507
    • Black, E.1    Breed, J.2    Breeze, A.L.3    Embrey, K.4    Garcia, R.5
  • 4
    • 74549203318 scopus 로고    scopus 로고
    • Catalyst 4. 11, Accelrys, Inc., San Diego, CA, 2005
    • Catalyst 4. 11, Accelrys, Inc., San Diego, CA, 2005, http://www.accelrys.com.
  • 5
    • 12844255081 scopus 로고    scopus 로고
    • Halenaquinone and xestoquinone derivatives, inhibitors of Cdc25B phosphatase from a Xestospongia sp
    • Cao S, Foster C, Brisson M, Lazo JS, Kingston DG (2005) Halenaquinone and xestoquinone derivatives, inhibitors of Cdc25B phosphatase from a Xestospongia sp. Bioorg Med Chem 13: 999-1003.
    • (2005) Bioorg Med Chem , vol.13 , pp. 999-1003
    • Cao, S.1    Foster, C.2    Brisson, M.3    Lazo, J.S.4    Kingston, D.G.5
  • 8
    • 31344442325 scopus 로고    scopus 로고
    • Protein tyrosine phosphatase 1B inhibitors from Morus root bark
    • Cui L, Na M, Oh H, Bae EY, Jeong DG, et al. (2006) Protein tyrosine phosphatase 1B inhibitors from Morus root bark. Bioorg Med ChemLett 16: 1426-1429.
    • (2006) Bioorg Med Chemlett , vol.16 , pp. 1426-1429
    • Cui, L.1    Na, M.2    Oh, H.3    Bae, E.Y.4    Jeong, D.G.5
  • 9
    • 11844305607 scopus 로고    scopus 로고
    • Protein Tyrosine Phosphatases and their Inhibitors
    • Dewang PM, Hsu NM, Peng SZ, Li WR (2005) Protein Tyrosine Phosphatases and their Inhibitors. Curr Med Chem 12: 1-22.
    • (2005) Curr Med Chem , vol.12 , pp. 1-22
    • Dewang, P.M.1    Hsu, N.M.2    Peng, S.Z.3    Li, W.R.4
  • 10
    • 0037161605 scopus 로고    scopus 로고
    • Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
    • Doman TN, McGovern SL, Witherbee BJ, Kasten TP, Kurumbail R, et al. (2002) Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B. J Med Chem 45: 2213-2221.
    • (2002) J Med Chem , vol.45 , pp. 2213-2221
    • Doman, T.N.1    McGovern, S.L.2    Witherbee, B.J.3    Kasten, T.P.4    Kurumbail, R.5
  • 11
    • 4544287532 scopus 로고    scopus 로고
    • Synthesis and evaluation of the antitumor agent TMC-69-6H and a focused library of analogs
    • Furstner A, Feyen F, Prinz H, Waldmann H (2004) Synthesis and evaluation of the antitumor agent TMC-69-6H and a focused library of analogs. Tetrahedron 60: 9543-9558.
    • (2004) Tetrahedron , vol.60 , pp. 9543-9558
    • Furstner, A.1    Feyen, F.2    Prinz, H.3    Waldmann, H.4
  • 12
    • 0035974741 scopus 로고    scopus 로고
    • Utilization of a Peptide Lead for the Discovery of a Novel PTP1B-Binding Motif
    • Gao Y, Voigt J, Zhao H, Pais GC, Zhang X, et al. (2001) Utilization of a Peptide Lead for the Discovery of a Novel PTP1B-Binding Motif. J Med Chem 44: 2869-2878.
    • (2001) J Med Chem , vol.44 , pp. 2869-2878
    • Gao, Y.1    Voigt, J.2    Zhao, H.3    Pais, G.C.4    Zhang, X.5
  • 13
    • 49149147973 scopus 로고
    • Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges
    • Gasteiger J, Marsilli M (1980) Iterative partial equalization of orbital electronegativity-a rapid access to atomic charges. Tetrahedron 36: 3219-3228.
    • (1980) Tetrahedron , vol.36 , pp. 3219-3228
    • Gasteiger, J.1    Marsilli, M.2
  • 14
    • 0037377337 scopus 로고    scopus 로고
    • Structure-Based Design and Discovery of Novel Inhibitors of Protein Tyrosine Phosphatases
    • Huang P, Ramphal J, Wei J, Liang C, Jallal B, et al. (2003) Structure-Based Design and Discovery of Novel Inhibitors of Protein Tyrosine Phosphatases. Bioorg Med Chem 11: 1835-1849.
    • (2003) Bioorg Med Chem , vol.11 , pp. 1835-1849
    • Huang, P.1    Ramphal, J.2    Wei, J.3    Liang, C.4    Jallal, B.5
  • 15
    • 0035924182 scopus 로고    scopus 로고
    • Structure of Protein Tyrosine Phosphatase 1B in Complex with Inhibitors Bearing Two Phosphotyrosine Mimetics
    • Jia Z, Ye Q, Dinaut AN, Wang Q, Waddleton D, et al. (2001) Structure of Protein Tyrosine Phosphatase 1B in Complex with Inhibitors Bearing Two Phosphotyrosine Mimetics. J Med Chem 44: 4584-4594.
    • (2001) J Med Chem , vol.44 , pp. 4584-4594
    • Jia, Z.1    Ye, Q.2    Dinaut, A.N.3    Wang, Q.4    Waddleton, D.5
  • 16
    • 0035935711 scopus 로고    scopus 로고
    • Discovery and Biological Evaluation of a New Family of Potent Inhibitors of the Dual Specificity Protein Phosphatase Cdc25
    • Lazo JS, Aslan DC, Southwick EC, Cooley KA, Ducruet AP, et al. (2001) Discovery and Biological Evaluation of a New Family of Potent Inhibitors of the Dual Specificity Protein Phosphatase Cdc25. J Med Chem 44: 4042-4049.
    • (2001) J Med Chem , vol.44 , pp. 4042-4049
    • Lazo, J.S.1    Aslan, D.C.2    Southwick, E.C.3    Cooley, K.A.4    Ducruet, A.P.5
  • 17
    • 33745610883 scopus 로고    scopus 로고
    • Novel benzofuran inhibitors of human mitogen-activated protein kinase phosphatase-1
    • Lazo JS, Nunes R, Skoko JJ, Queiroz de Oliveira PE, Vogt A, et al. (2006) Novel benzofuran inhibitors of human mitogen-activated protein kinase phosphatase-1. Bioorg Med Chem 14: 5643-5650.
    • (2006) Bioorg Med Chem , vol.14 , pp. 5643-5650
    • Lazo, J.S.1    Nunes, R.2    Skoko, J.J.3    Queiroz de Oliveira, P.E.4    Vogt, A.5
  • 18
    • 0036235963 scopus 로고    scopus 로고
    • The Difluoromethylenesulfonic Acid Group as a Monoanionic Phosphate Surrogate for Obtaining PTP1B Inhibitors
    • Leung C, Grzyb J, Lee J, Meyer N, Hum G, et al. (2002) The Difluoromethylenesulfonic Acid Group as a Monoanionic Phosphate Surrogate for Obtaining PTP1B Inhibitors. Bioorg Med Chem 10: 2309-2323.
    • (2002) Bioorg Med Chem , vol.10 , pp. 2309-2323
    • Leung, C.1    Grzyb, J.2    Lee, J.3    Meyer, N.4    Hum, G.5
  • 19
    • 0043022181 scopus 로고    scopus 로고
    • Acylsulfonamide-Containing PTP1B Inhibitors Designed to Mimic an Enzyme-Bound Water of Hydration
    • Liu DG, Gao Y, Voigt JH, Lee K, Nicklaus MC, et al. (2003) Acylsulfonamide-Containing PTP1B Inhibitors Designed to Mimic an Enzyme-Bound Water of Hydration. Bioorg Med Chem Lett 13: 3005-3007.
    • (2003) Bioorg Med Chem Lett , vol.13 , pp. 3005-3007
    • Liu, D.G.1    Gao, Y.2    Voigt, J.H.3    Lee, K.4    Nicklaus, M.C.5
  • 20
    • 0036884693 scopus 로고    scopus 로고
    • Dual-Specificity Phosphatases As Targets For Antineoplastic Agents
    • Lyon MA, Ducruet AP, Wipf P, Lazo JS (2002) Dual-Specificity Phosphatases As Targets For Antineoplastic Agents, Nat. Rev. Drug Discov 1: 961-970.
    • (2002) Nat. Rev. Drug Discov , vol.1 , pp. 961-970
    • Lyon, M.A.1    Ducruet, A.P.2    Wipf, P.3    Lazo, J.S.4
  • 21
    • 34249940515 scopus 로고    scopus 로고
    • 5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases
    • Maccari R, Paoli P, Ottanà R, Jacomelli M, Ciurleo R, et al. (2007) 5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases. Bioorg Med Chem 15: 5137-5149.
    • (2007) Bioorg Med Chem , vol.15 , pp. 5137-5149
    • Maccari, R.1    Paoli, P.2    Ottanà, R.3    Jacomelli, M.4    Ciurleo, R.5
  • 22
    • 0034624722 scopus 로고    scopus 로고
    • New Azolidinediones as Inhibitors of Protein Tyrosine Phosphatase 1B with Antihyperglycemic Properties
    • Malamas MS, Sredy J, Gunawan I, Mihan B, Sawicki DR, et al. (2000a) New Azolidinediones as Inhibitors of Protein Tyrosine Phosphatase 1B with Antihyperglycemic Properties. J Med Chem 43: 995-1010.
    • (2000) J Med Chem , vol.43 , pp. 995-1010
    • Malamas, M.S.1    Sredy, J.2    Gunawan, I.3    Mihan, B.4    Sawicki, D.R.5
  • 23
    • 0034611597 scopus 로고    scopus 로고
    • Novel Benzofuran and Benzothiophene Biphenyls as Inhibitors of Protein Tyrosine Phosphatase 1B with Antihyperglycemic Properties
    • Malamas MS, Sredy J, Moxham C, Katz A, Xu W, et al. (2000b) Novel Benzofuran and Benzothiophene Biphenyls as Inhibitors of Protein Tyrosine Phosphatase 1B with Antihyperglycemic Properties. J Med Chem 43: 1293-1310.
    • (2000) J Med Chem , vol.43 , pp. 1293-1310
    • Malamas, M.S.1    Sredy, J.2    Moxham, C.3    Katz, A.4    Xu, W.5
  • 24
    • 33646569481 scopus 로고    scopus 로고
    • Two novel aromatic valerenane-type sesquiterpenes from the Chinese green alga Caulerpa taxifolia
    • Mao SC, Guo YW, Shen X (2006) Two novel aromatic valerenane-type sesquiterpenes from the Chinese green alga Caulerpa taxifolia. Bioorg Med Chem Lett16: 2947-2950.
    • (2006) Bioorg Med Chem Lett16 , pp. 2947-2950
    • Mao, S.C.1    Guo, Y.W.2    Shen, X.3
  • 25
    • 33646046143 scopus 로고    scopus 로고
    • Inhibition of protein tyrosine phosphatase 1B by diterpenoids isolated from Acanthopanax koreanum
    • Na M, Oh WK, Kim YH, Cai XF, Kim S, et al. (2006a) Inhibition of protein tyrosine phosphatase 1B by diterpenoids isolated from Acanthopanax koreanum. Bioorg Med Chem Lett 16: 3061-3064.
    • (2006) Bioorg Med Chem Lett , vol.16 , pp. 3061-3064
    • Na, M.1    Oh, W.K.2    Kim, Y.H.3    Cai, X.F.4    Kim, S.5
  • 26
    • 33646182208 scopus 로고    scopus 로고
    • Protein tyrosine phosphatase 1B inhibitory activity of triterpenes isolated from Astilbe koreana
    • Na M, Cui L, Min BS, Bae K, Yoo JK, et al. (2006b) Protein tyrosine phosphatase 1B inhibitory activity of triterpenes isolated from Astilbe koreana. Bioorg Med Chem Lett 16: 3273-3276.
    • (2006) Bioorg Med Chem Lett , vol.16 , pp. 3273-3276
    • Na, M.1    Cui, L.2    Min, B.S.3    Bae, K.4    Yoo, J.K.5
  • 27
    • 35448947581 scopus 로고    scopus 로고
    • Protein Tyrosine Phosphatase Inhibition
    • Ripka WC (2000) Protein Tyrosine Phosphatase Inhibition. Annu Rep Med Chem 35: 231-250.
    • (2000) Annu Rep Med Chem , vol.35 , pp. 231-250
    • Ripka, W.C.1
  • 28
    • 57049158213 scopus 로고    scopus 로고
    • Pharmacophore modeling of diverse classes of p38 MAP kinase inhibitors
    • Sarma R, Sinha S, Ravikumar M, Kumara MK, Mahmood SK (2008) Pharmacophore modeling of diverse classes of p38 MAP kinase inhibitors. Eur J Med Chem 43: 2870-2876.
    • (2008) Eur J Med Chem , vol.43 , pp. 2870-2876
    • Sarma, R.1    Sinha, S.2    Ravikumar, M.3    Kumara, M.K.4    Mahmood, S.K.5
  • 29
    • 1642603819 scopus 로고    scopus 로고
    • Evans Blue and other dyes as protein tyrosine phosphatase inhibitors
    • Shrestha S, Shim YS, Kim KC, Lee KH, Cho H (2004) Evans Blue and other dyes as protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett 14: 1923-1926.
    • (2004) Bioorg Med Chem Lett , vol.14 , pp. 1923-1926
    • Shrestha, S.1    Shim, Y.S.2    Kim, K.C.3    Lee, K.H.4    Cho, H.5
  • 30
    • 12844284644 scopus 로고    scopus 로고
    • Formylchromone derivatives as irreversible and selective inhibitors of human protein tyrosine phosphatase 1B. Kinetic and modeling studies
    • Shim YS, Kim KC, Lee KA, Shrestha S, Lee KH, et al. (2005) Formylchromone derivatives as irreversible and selective inhibitors of human protein tyrosine phosphatase 1B. Kinetic and modeling studies. Bioorg Med Chem 13: 1325-1332.
    • (2005) Bioorg Med Chem , vol.13 , pp. 1325-1332
    • Shim, Y.S.1    Kim, K.C.2    Lee, K.A.3    Shrestha, S.4    Lee, K.H.5
  • 31
    • 29144472246 scopus 로고    scopus 로고
    • Effects of Variable Docking Conditions and Scoring Functions on Corresponding Protein-Aligned Comparative Molecular Field Analysis Models Constructed from Diverse Human Protein Tyrosine Phosphatase 1B Inhibitors
    • Taha MO, AlDamen MA (2005) Effects of Variable Docking Conditions and Scoring Functions on Corresponding Protein-Aligned Comparative Molecular Field Analysis Models Constructed from Diverse Human Protein Tyrosine Phosphatase 1B Inhibitors. J Med Chem 48: 8016-8034.
    • (2005) J Med Chem , vol.48 , pp. 8016-8034
    • Taha, M.O.1    Aldamen, M.A.2
  • 32
    • 0032539505 scopus 로고    scopus 로고
    • Naphthalene bis[alpha,alpha-Difluoromethylenephosphonates] as Potent Inhibitors of Protein Tyrosine Phosphatases
    • Wang Q, Huang Z, Ramachandran C, Dinaut AN, Taylor SD (1998) Naphthalene bis[alpha,alpha-Difluoromethylenephosphonates] as Potent Inhibitors of Protein Tyrosine Phosphatases. Bioorg Med Chem Lett 8: 345-350.
    • (1998) Bioorg Med Chem Lett , vol.8 , pp. 345-350
    • Wang, Q.1    Huang, Z.2    Ramachandran, C.3    Dinaut, A.N.4    Taylor, S.D.5
  • 33
    • 0035847677 scopus 로고    scopus 로고
    • Sulfonylated Aminothiazoles as New Small Molecule Inhibitors of Protein Phosphatases
    • Wipf P, Aslan DC, Southwick EC, Lazo JS (2001) Sulfonylated Aminothiazoles as New Small Molecule Inhibitors of Protein Phosphatases. Bioorg Med Chem Lett 11: 313-317.
    • (2001) Bioorg Med Chem Lett , vol.11 , pp. 313-317
    • Wipf, P.1    Aslan, D.C.2    Southwick, E.C.3    Lazo, J.S.4
  • 34
    • 13044270997 scopus 로고    scopus 로고
    • PTP1B Inhibition and Antihyperglycemic Activity in the ob/ob Mouse Model of Novel 11-Arylbenzo[b]naphtho[2,3-d]furans and 11-Arylbenzo[b]naphtho[2,3-d]thiophenes
    • Wrobel J, Sredy J, Moxham C, Dietrich A, Li Z, et al. (1999) PTP1B Inhibition and Antihyperglycemic Activity in the ob/ob Mouse Model of Novel 11-Arylbenzo[b]naphtho[2,3-d]furans and 11-Arylbenzo[b]naphtho[2,3-d]thiophenes. J Med Chem 42: 3199-3202.
    • (1999) J Med Chem , vol.42 , pp. 3199-3202
    • Wrobel, J.1    Sredy, J.2    Moxham, C.3    Dietrich, A.4    Li, Z.5
  • 35
    • 34247362854 scopus 로고    scopus 로고
    • PTP-1B as a drug target: Recent developments in PTP-1B inhibitor discovery
    • Zhang S, Zhang ZY (2007) PTP-1B as a drug target: recent developments in PTP-1B inhibitor discovery. Drug Discov Today 12: 373-381.
    • (2007) Drug Discov Today , vol.12 , pp. 373-381
    • Zhang, S.1    Zhang, Z.Y.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.