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Volumn 43, Issue 8, 2013, Pages 1037-1044

Identification of BACE1 inhibitors from Panax ginseng saponins-An Insilco approach

Author keywords

Alzheimer's disease; BACE1; Ginsenosides; Molecular modeling; Panax Ginseng

Indexed keywords

ALZHEIMER'S DISEASE; BACE1; BLOOD-BRAIN BARRIER; EXPERIMENTAL EVIDENCE; GINSENOSIDES; HYDROGEN BOND INTERACTION; MOLECULAR DYNAMICS SIMULATIONS; PANAX GINSENG;

EID: 84879452623     PISSN: 00104825     EISSN: 18790534     Source Type: Journal    
DOI: 10.1016/j.compbiomed.2013.05.009     Document Type: Article
Times cited : (49)

References (53)
  • 1
    • 36649032715 scopus 로고    scopus 로고
    • Molecular docking and 3D-QSAR studies of 2-substituted 1-indanone derivatives as acetylcholinesterase inhibitors
    • Shen L.L., Liu G.X., Tang Y. Molecular docking and 3D-QSAR studies of 2-substituted 1-indanone derivatives as acetylcholinesterase inhibitors. Acta Pharmacol. Sin. 2007, 28:2053-2063.
    • (2007) Acta Pharmacol. Sin. , vol.28 , pp. 2053-2063
    • Shen, L.L.1    Liu, G.X.2    Tang, Y.3
  • 2
    • 77953892400 scopus 로고    scopus 로고
    • Molecular mechanisms of neurodegeneration in Alzheimer's disease
    • Crews L., Masliah E. Molecular mechanisms of neurodegeneration in Alzheimer's disease. Hum. Mol. Genet. 2010, 19:R12-20.
    • (2010) Hum. Mol. Genet. , vol.19
    • Crews, L.1    Masliah, E.2
  • 4
    • 33847662852 scopus 로고    scopus 로고
    • Soluble protein oligomers in neurodegeneration: lessons from the Alzheimer's amyloid [beta]-peptide
    • Haass C., Selkoe D.J. Soluble protein oligomers in neurodegeneration: lessons from the Alzheimer's amyloid [beta]-peptide. Nat. Rev. Mol. Cell Biol. 2007, 8:101-112.
    • (2007) Nat. Rev. Mol. Cell Biol. , vol.8 , pp. 101-112
    • Haass, C.1    Selkoe, D.J.2
  • 5
    • 77952543738 scopus 로고    scopus 로고
    • Neurogenesis and Alzheimer's disease: at the crossroads
    • Lazarov O., Marr R.A. Neurogenesis and Alzheimer's disease: at the crossroads. Exp. Neurol. 2010, 223:267-281.
    • (2010) Exp. Neurol. , vol.223 , pp. 267-281
    • Lazarov, O.1    Marr, R.A.2
  • 6
    • 77949423619 scopus 로고    scopus 로고
    • Cerebrospinal fluid and plasma biomarkers in Alzheimer disease
    • Blennow K., Hampel H., Weiner M., Zetterberg H. Cerebrospinal fluid and plasma biomarkers in Alzheimer disease. Nat. Rev. Neurol. 2010, 6:131-144.
    • (2010) Nat. Rev. Neurol. , vol.6 , pp. 131-144
    • Blennow, K.1    Hampel, H.2    Weiner, M.3    Zetterberg, H.4
  • 7
    • 0037135111 scopus 로고    scopus 로고
    • The amyloid hypothesis of Alzheimer's disease: progress and problems on the road to therapeutics
    • Hardy J., Selkoe D.J. The amyloid hypothesis of Alzheimer's disease: progress and problems on the road to therapeutics. Science 2002, 297:353-356.
    • (2002) Science , vol.297 , pp. 353-356
    • Hardy, J.1    Selkoe, D.J.2
  • 8
    • 76849086405 scopus 로고    scopus 로고
    • The secretases: enzymes with therapeutic potential in Alzheimer disease
    • De Strooper B., Vassar R., Golde T. The secretases: enzymes with therapeutic potential in Alzheimer disease. Nat. Rev. Neurol. 2010, 6:99-107.
    • (2010) Nat. Rev. Neurol. , vol.6 , pp. 99-107
    • De Strooper, B.1    Vassar, R.2    Golde, T.3
  • 9
    • 5344240284 scopus 로고    scopus 로고
    • Amyloid-beta precursor protein processing in neurodegeneration
    • Wilquet V., De Strooper B. Amyloid-beta precursor protein processing in neurodegeneration. Curr. Opinion Neurobiol. 2004, 14:582-588.
    • (2004) Curr. Opinion Neurobiol. , vol.14 , pp. 582-588
    • Wilquet, V.1    De Strooper, B.2
  • 14
    • 0042858264 scopus 로고    scopus 로고
    • Antagonistic effects of beta-site amyloid precursor protein-cleaving enzymes 1 and 2 on beta-amyloid peptide production in cells
    • Basi G., Frigon N., Barbour R., Doan T., Gordon G., McConlogue L., Sinha S., Zeller M. Antagonistic effects of beta-site amyloid precursor protein-cleaving enzymes 1 and 2 on beta-amyloid peptide production in cells. J. Biol. Chem. 2003, 278:31512-31520.
    • (2003) J. Biol. Chem. , vol.278 , pp. 31512-31520
    • Basi, G.1    Frigon, N.2    Barbour, R.3    Doan, T.4    Gordon, G.5    McConlogue, L.6    Sinha, S.7    Zeller, M.8
  • 15
    • 0034662929 scopus 로고    scopus 로고
    • BACE2, a β-secretase homolog, cleaves at the β site and within the amyloid-β region of the amyloid-β precursor protein
    • Farzan M., Schnitzler C.E., Vasilieva N., Leung D., Choe H. BACE2, a β-secretase homolog, cleaves at the β site and within the amyloid-β region of the amyloid-β precursor protein. Proc. Natl. Acad. Sci. 2000, 97:9712-9717.
    • (2000) Proc. Natl. Acad. Sci. , vol.97 , pp. 9712-9717
    • Farzan, M.1    Schnitzler, C.E.2    Vasilieva, N.3    Leung, D.4    Choe, H.5
  • 16
    • 0034652309 scopus 로고    scopus 로고
    • Human aspartic protease memapsin 2 cleaves the beta-secretase site of beta-amyloid precursor protein
    • Lin X., Koelsch G., Wu S., Downs D., Dashti A., Tang J. Human aspartic protease memapsin 2 cleaves the beta-secretase site of beta-amyloid precursor protein. Proc. Natl. Acad. Sci. USA 2000, 97:1456-1460.
    • (2000) Proc. Natl. Acad. Sci. USA , vol.97 , pp. 1456-1460
    • Lin, X.1    Koelsch, G.2    Wu, S.3    Downs, D.4    Dashti, A.5    Tang, J.6
  • 18
    • 14944383798 scopus 로고    scopus 로고
    • The evolving role of natural products in drug discovery
    • Koehn F.E., Carter G.T. The evolving role of natural products in drug discovery. Nat. Rev. Drug. Discovery 2005, 4:206-220.
    • (2005) Nat. Rev. Drug. Discovery , vol.4 , pp. 206-220
    • Koehn, F.E.1    Carter, G.T.2
  • 19
    • 34247109045 scopus 로고    scopus 로고
    • Natural products as sources of new drugs over the last 25 years
    • Newman D.J., Cragg G.M. Natural products as sources of new drugs over the last 25 years. J. Nat. Prod. 2007, 70:461-477.
    • (2007) J. Nat. Prod. , vol.70 , pp. 461-477
    • Newman, D.J.1    Cragg, G.M.2
  • 20
    • 78449248935 scopus 로고    scopus 로고
    • Potential therapeutic agents against Alzheimer's disease from natural sources
    • Park S.Y. Potential therapeutic agents against Alzheimer's disease from natural sources. Arch. Pharm. Res. 2010, 33:1589-1609.
    • (2010) Arch. Pharm. Res. , vol.33 , pp. 1589-1609
    • Park, S.Y.1
  • 21
    • 0035650950 scopus 로고    scopus 로고
    • Brief introduction of Panax ginseng C.A. Meyer
    • Yun T.K. Brief introduction of Panax ginseng C.A. Meyer. J. Korean Med. Sci. 2001, 16(Suppl.):S3-5.
    • (2001) J. Korean Med. Sci. , vol.16 , Issue.SUPPL.
    • Yun, T.K.1
  • 22
    • 51349106992 scopus 로고    scopus 로고
    • Botanical characteristics, pharmacological effects and medicinal components of Korean Panax ginseng C.A. Meyer
    • Choi K.T. Botanical characteristics, pharmacological effects and medicinal components of Korean Panax ginseng C.A. Meyer. Acta Pharmacol. Sin. 2008, 29:1109-1118.
    • (2008) Acta Pharmacol. Sin. , vol.29 , pp. 1109-1118
    • Choi, K.T.1
  • 23
    • 77953307436 scopus 로고    scopus 로고
    • Pharmacology of ginsenosides: a literature review
    • Leung K.W., Wong A.S. Pharmacology of ginsenosides: a literature review. Chin. Med. 2010, 5:20.
    • (2010) Chin. Med. , vol.5 , pp. 20
    • Leung, K.W.1    Wong, A.S.2
  • 24
    • 79955616025 scopus 로고    scopus 로고
    • Characteristics of absorption and accumulation of inorganic Germanium in Panax ginseng C.A. Meyer
    • C.-S.P. Je-Yong Kang, Sung-Ryong Ko, Kyo In, Chol-Soo Park, Dong-Yun Lee, Deok-Chun Yang, Characteristics of absorption and accumulation of inorganic Germanium in Panax ginseng C.A. Meyer, J. Ginseng Res. 35 (2011) 12-20.
    • (2011) J. Ginseng Res. , vol.35 , pp. 12-20
    • Je-Yong Kang, C.-S.P.1    Ko, S.-R.2    In, K.3    Park, C.-S.4    Lee, D.-Y.5    Yang, D.-C.6
  • 26
    • 79951804440 scopus 로고    scopus 로고
    • Neuroprotective effects of ginsenoside Rg3 against 24-OH-cholesterol-induced cytotoxicity in cortical neurons
    • Roh Y.S., Kim H.B., Kang C.W., Kim B.S., Nah S.Y., Kim J.H. Neuroprotective effects of ginsenoside Rg3 against 24-OH-cholesterol-induced cytotoxicity in cortical neurons. J. Ginseng Res. 2010, 34:246-253.
    • (2010) J. Ginseng Res. , vol.34 , pp. 246-253
    • Roh, Y.S.1    Kim, H.B.2    Kang, C.W.3    Kim, B.S.4    Nah, S.Y.5    Kim, J.H.6
  • 27
    • 34247230363 scopus 로고    scopus 로고
    • Protective effects of ginsenoside Rg2 against glutamate-induced neurotoxicity in PC12 cells
    • Li N., Liu B., Dluzen D.E., Jin Y. Protective effects of ginsenoside Rg2 against glutamate-induced neurotoxicity in PC12 cells. J. Ethnopharmacol. 2007, 111:458-463.
    • (2007) J. Ethnopharmacol. , vol.111 , pp. 458-463
    • Li, N.1    Liu, B.2    Dluzen, D.E.3    Jin, Y.4
  • 28
    • 53549121996 scopus 로고    scopus 로고
    • Protective effects of ginsenoside Rd on PC12 cells against hydrogen peroxide
    • Ye R., Han J., Kong X., Zhao L., Cao R., Rao Z., Zhao G. Protective effects of ginsenoside Rd on PC12 cells against hydrogen peroxide. Biol. Pharm. Bull. 2008, 31:1923-1927.
    • (2008) Biol. Pharm. Bull. , vol.31 , pp. 1923-1927
    • Ye, R.1    Han, J.2    Kong, X.3    Zhao, L.4    Cao, R.5    Rao, Z.6    Zhao, G.7
  • 29
  • 30
    • 70449674742 scopus 로고    scopus 로고
    • Inhibits beta-secretase activity in vitro and protects against Abeta-induced cytotoxicity in PC12 cells
    • Wang Y.H., Du, Ginsenoside Rg1 G.H. inhibits beta-secretase activity in vitro and protects against Abeta-induced cytotoxicity in PC12 cells. J. Asian Nat. Prod. Res. 2009, 11:604-612.
    • (2009) J. Asian Nat. Prod. Res. , vol.11 , pp. 604-612
    • Wang, Y.H.1    Du Ginsenoside Rg1, G.H.2
  • 36
    • 0037038816 scopus 로고    scopus 로고
    • β-Secretase (BACE) as a drug target for Alzheimer's disease
    • Vassar R. β-Secretase (BACE) as a drug target for Alzheimer's disease. Adv. Drug Delivery Rev. 2002, 54:1589-1602.
    • (2002) Adv. Drug Delivery Rev. , vol.54 , pp. 1589-1602
    • Vassar, R.1
  • 37
    • 81355161288 scopus 로고    scopus 로고
    • Molecular docking for virtual screening of natural product databases
    • Ma D.-L., Chan D.S.-H., Leung C.-H. Molecular docking for virtual screening of natural product databases. Chem. Sci. 2011, 2:1656-1665.
    • (2011) Chem. Sci. , vol.2 , pp. 1656-1665
    • Ma, D.-L.1    Chan, D.S.-H.2    Leung, C.-H.3
  • 38
    • 76149120388 scopus 로고    scopus 로고
    • AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
    • Trott O., Olson A.J. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 2010, 31:455-461.
    • (2010) J. Comput. Chem. , vol.31 , pp. 455-461
    • Trott, O.1    Olson, A.J.2
  • 39
    • 84866078172 scopus 로고    scopus 로고
    • Molecular docking studies of anti-apoptotic BCL-2, BCL-XL, and MCL-1 proteins with ginsenosides from Panax ginseng
    • Sathishkumar N., Sathiyamoorthy S., Ramya M., Yang D.U., Lee H.N., Yang D.C. Molecular docking studies of anti-apoptotic BCL-2, BCL-XL, and MCL-1 proteins with ginsenosides from Panax ginseng. J. Enzyme Inhib. Med. Chem. 2012, 27:685-692.
    • (2012) J. Enzyme Inhib. Med. Chem. , vol.27 , pp. 685-692
    • Sathishkumar, N.1    Sathiyamoorthy, S.2    Ramya, M.3    Yang, D.U.4    Lee, H.N.5    Yang, D.C.6
  • 40
    • 78650203607 scopus 로고    scopus 로고
    • Drawing the PDB: protein-ligand complexes in two dimensions
    • Stierand K., Rarey M. Drawing the PDB: protein-ligand complexes in two dimensions. ACS Med. Chem. Lett. 2010, 1:540-545.
    • (2010) ACS Med. Chem. Lett. , vol.1 , pp. 540-545
    • Stierand, K.1    Rarey, M.2
  • 41
    • 84855952112 scopus 로고    scopus 로고
    • Poseview-molecular interaction patterns at a glance
    • Stierand K., Rarey M. Poseview-molecular interaction patterns at a glance. J. Cheminf. 2010, 2:P50.
    • (2010) J. Cheminf. , vol.2
    • Stierand, K.1    Rarey, M.2
  • 42
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 1997, 23:3-25.
    • (1997) Adv. Drug Delivery Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 43
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 2001, 46:3-26.
    • (2001) Adv. Drug Delivery Rev. , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 46
    • 0030540977 scopus 로고    scopus 로고
    • Interactions of bacterial adhesins with extracellular matrix and plasma proteins: pathogenic implications and therapeutic possibilities
    • Ljungh Å., Moran A.P., Wadström T. Interactions of bacterial adhesins with extracellular matrix and plasma proteins: pathogenic implications and therapeutic possibilities. FEMS Immunol. Med. Microbiol. 1996, 16:117-126.
    • (1996) FEMS Immunol. Med. Microbiol. , vol.16 , pp. 117-126
    • Ljungh, Å.1    Moran, A.P.2    Wadström, T.3
  • 47
    • 7544226311 scopus 로고    scopus 로고
    • PRODRG: a tool for high-throughput crystallography of protein-ligand complexes
    • Schuttelkopf A.W., van Aalten D.M. PRODRG: a tool for high-throughput crystallography of protein-ligand complexes. Acta Crystallogr D. Biol. Crystallogr. 2004, 60:1355-1363.
    • (2004) Acta Crystallogr D. Biol. Crystallogr. , vol.60 , pp. 1355-1363
    • Schuttelkopf, A.W.1    van Aalten, D.M.2
  • 49
    • 84894886404 scopus 로고    scopus 로고
    • Molecular docking studies of anti-apoptotic BCL-2, BCL-XL, and MCL-1 proteins with ginsenosides from Panax ginseng, Accelrys. Accelrys Discovery Studio 2.5, San Diego, CA. 2009
    • Sathishkumar N., Sathiyamoorthy S., Ramya M., Yang D.U., Lee H.N., Yang D.C. Molecular docking studies of anti-apoptotic BCL-2, BCL-XL, and MCL-1 proteins with ginsenosides from Panax ginseng, Accelrys. Accelrys Discovery Studio 2.5, San Diego, CA. 2009. J. Enzyme Inhib. Med. Chem. 2011.
    • (2011) J. Enzyme Inhib. Med. Chem.
    • Sathishkumar, N.1    Sathiyamoorthy, S.2    Ramya, M.3    Yang, D.U.4    Lee, H.N.5    Yang, D.C.6
  • 51
    • 33748545599 scopus 로고    scopus 로고
    • Recent advances in computational prediction of drug absorption and permeability in drug discovery
    • Hou T., Wang J., Zhang W., Wang W., Xu X. Recent advances in computational prediction of drug absorption and permeability in drug discovery. Curr. Med. Chem. 2006, 13:2653-2667.
    • (2006) Curr. Med. Chem. , vol.13 , pp. 2653-2667
    • Hou, T.1    Wang, J.2    Zhang, W.3    Wang, W.4    Xu, X.5
  • 52
    • 34249793679 scopus 로고    scopus 로고
    • Computer-assisted methods in chemical toxicity prediction
    • Mohan C.G., Gandhi T., Garg D., Shinde R. Computer-assisted methods in chemical toxicity prediction. Mini-Rev. Med. Chem. 2007, 7:499-507.
    • (2007) Mini-Rev. Med. Chem. , vol.7 , pp. 499-507
    • Mohan, C.G.1    Gandhi, T.2    Garg, D.3    Shinde, R.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.