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Volumn 19, Issue 2, 2013, Pages 39-44

Molecular docking studies of squalen synthase inhibitors as potential anti cardiovascular disease drugs: Insights into drug-protein interaction discovery

Author keywords

Binding free energy; Hypercholesterolemia; Molecular docking; Squalen synthase inhibitor

Indexed keywords

CARDIOVASCULAR AGENT; SQUALENE SYNTHASE INHIBITOR;

EID: 84904003141     PISSN: 1735403X     EISSN: 23832886     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (7)

References (29)
  • 1
    • 79957811546 scopus 로고    scopus 로고
    • Identification of 4H,6H-[2]benzoxepino[4,5-c][1,2]oxazoles as novel squalene synthase inhibitors
    • Griebenow N, Buchmueller A, Kolkhof P, Schamberger J, Bischoff H. Identification of 4H,6H-[2]benzoxepino[4,5-c][1,2]oxazoles as novel squalene synthase inhibitors. Bioorg Med Chem Lett 2011;21(12):3648-53.
    • (2011) Bioorg Med Chem Lett , vol.21 , Issue.12 , pp. 3648-3653
    • Griebenow, N.1    Buchmueller, A.2    Kolkhof, P.3    Schamberger, J.4    Bischoff, H.5
  • 2
    • 0042121523 scopus 로고    scopus 로고
    • Syntheses of 3-ethylidenequinuclidine derivatives as squalene synthase inhibitors. Part 2: Enzyme inhibition and effects on plasma lipid levels
    • DOI 10.1016/S0968-0896(03)00336-5
    • Ishihara T, Kakuta H, Moritani H, Ugawa T, Sakamoto S, Tsukamoto S, et al. Syntheses of 3-ethylidenequinuclidine derivatives as squalene synthase inhibitors. Part 2: enzyme inhibition and effects on plasma lipid levels. Bioorg Med Chem 2003;11(17):3735-45. (Pubitemid 36952271)
    • (2003) Bioorganic and Medicinal Chemistry , vol.11 , Issue.17 , pp. 3735-3745
    • Ishihara, T.1    Kakuta, H.2    Moritani, H.3    Ugawa, T.4    Sakamoto, S.5    Tsukamoto, S.-I.6    Yanagisawa, I.7
  • 4
    • 0026557541 scopus 로고
    • HMG CoA reductase inhibitors
    • Hunninghake DB. HMG CoA reductase inhibitors. Curr Opin Lipidol 1992;3(1):22-8.
    • (1992) Curr Opin Lipidol , vol.3 , Issue.1 , pp. 22-28
    • Hunninghake, D.B.1
  • 5
    • 36549034768 scopus 로고    scopus 로고
    • Blood cholesterol and vascular mortality by age, sex, and blood pressure: A meta-analysis of individual data from 61 prospective studies with 55,000 vascular deaths
    • Prospective Studies C
    • Prospective Studies C, Lewington S, Whitlock G, Clarke R, Sherliker P, Emberson J, et al. Blood cholesterol and vascular mortality by age, sex, and blood pressure: a meta-analysis of individual data from 61 prospective studies with 55,000 vascular deaths. Lancet 2007;370(9602):1829-39.
    • (2007) Lancet , vol.370 , Issue.9602 , pp. 1829-1839
    • Lewington, S.1    Whitlock, G.2    Clarke, R.3    Sherliker, P.4    Emberson, J.5
  • 6
    • 0242408817 scopus 로고    scopus 로고
    • Comparing myotoxic effects of squalene synthase inhibitor, T-91485, and 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitors in human myocytes
    • DOI 10.1016/j.bcp.2003.08.011
    • Nishimoto T, Tozawa R, Amano Y, Wada T, Imura Y, Sugiyama Y. Comparing myotoxic effects of squalene synthase inhibitor, T-91485, and 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitors in human myocytes. Biochem Pharmacol 2003;66(11):2133-9. (Pubitemid 37377859)
    • (2003) Biochemical Pharmacology , vol.66 , Issue.11 , pp. 2133-2139
    • Nishimoto, T.1    Tozawa, R.2    Amano, Y.3    Wada, T.4    Imura, Y.5    Sugiyama, Y.6
  • 7
    • 77957973723 scopus 로고    scopus 로고
    • Design of more potent squalene synthase inhibitors with multiple activities
    • Kourounakis AP, Matralis AN, Nikitakis A. Design of more potent squalene synthase inhibitors with multiple activities. Bioorg Med Chem 2010;18(21):7402-12.
    • (2010) Bioorg Med Chem , vol.18 , Issue.21 , pp. 7402-7412
    • Kourounakis, A.P.1    Matralis, A.N.2    Nikitakis, A.3
  • 8
    • 59549089180 scopus 로고    scopus 로고
    • Statin adverse effects : A review of the literature and evidence for a mitochondrial mechanism
    • Golomb BA, Evans MA. Statin adverse effects : a review of the literature and evidence for a mitochondrial mechanism. Am J Cardiovasc Drugs 2008;8(6):373-418.
    • (2008) Am J Cardiovasc Drugs , vol.8 , Issue.6 , pp. 373-418
    • Golomb, B.A.1    Evans, M.A.2
  • 9
    • 0028912662 scopus 로고
    • Expression, purification, and characterization of the human squalene synthase: Use of yeast and baculoviral systems
    • Soltis DA, Mcmahon G, Caplan SL, Dudas DA, Chamberlin HA, Vattay A, et al. Expression, purification, and characterization of the human squalene synthase: use of yeast and baculoviral systems. Arch Biochem Biophys 1995;316(2):713-23.
    • (1995) Arch Biochem Biophys , vol.316 , Issue.2 , pp. 713-723
    • Soltis, D.A.1    McMahon, G.2    Caplan, S.L.3    Dudas, D.A.4    Chamberlin, H.A.5    Vattay, A.6
  • 12
    • 34447275949 scopus 로고    scopus 로고
    • Ligand docking and structure-based virtual screening in drug discovery
    • DOI 10.2174/156802607780906753
    • Cavasotto CN, Orry AJ. Ligand docking and structure-based virtual screening in drug discovery. Curr Top Med Chem 2007;7(10):1006-14. (Pubitemid 47040528)
    • (2007) Current Topics in Medicinal Chemistry , vol.7 , Issue.10 , pp. 1006-1014
    • Cavasotto, C.N.1    Orry, A.J.W.2
  • 15
    • 38149037027 scopus 로고    scopus 로고
    • Isolation and structural determination of squalene synthase inhibitor from Prunus mume fruit
    • Choi SW, Hur NY, Ahn SC, Kim DS, Lee JK, Kim DO, et al. Isolation and structural determination of squalene synthase inhibitor from Prunus mume fruit. J Microbiol Biotechnol 2007;17(12):1970-5.
    • (2007) J Microbiol Biotechnol , vol.17 , Issue.12 , pp. 1970-1975
    • Choi, S.W.1    Hur, N.Y.2    Ahn, S.C.3    Kim, D.S.4    Lee, J.K.5    Kim, D.O.6
  • 16
    • 44349097602 scopus 로고    scopus 로고
    • Cloning, solubilization, and characterization of squalene synthase from Thermosynechococcus elongatus BP-1
    • DOI 10.1128/JB.01939-07
    • Lee S, Poulter CD. Cloning, solubilization, and characterization of squalene synthase from Thermosynechococcus elongatus BP-1. J Bacteriol 2008;190(11):3808-16. (Pubitemid 351732859)
    • (2008) Journal of Bacteriology , vol.190 , Issue.11 , pp. 3808-3816
    • Lee, S.1    Poulter, C.D.2
  • 19
    • 70349932423 scopus 로고    scopus 로고
    • AutoDock4 and autodock Tools4: Automated docking with selective receptor flexibility
    • Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS, et al. AutoDock4 and AutoDock Tools4: Automated docking with selective receptor flexibility. J Comput Chem 2009;30(16):2785-91.
    • (2009) J Comput Chem , vol.30 , Issue.16 , pp. 2785-2791
    • Morris, G.M.1    Huey, R.2    Lindstrom, W.3    Sanner, M.F.4    Belew, R.K.5    Goodsell, D.S.6
  • 22
    • 68349117038 scopus 로고    scopus 로고
    • Computational docking of biomolecular complexes with AutoDock
    • pdb prot5200
    • Goodsell DS. Computational docking of biomolecular complexes with AutoDock. Cold Spring Harb Protoc 2009;2009(5):pdb prot5200.
    • (2009) Cold Spring Harb Protoc. , vol.2009 , Issue.5
    • Goodsell, D.S.1
  • 24
    • 38149037027 scopus 로고    scopus 로고
    • Isolation and structural determination of squalene synthase inhibitor from Prunus mume fruit
    • Choi SW, Hur NY, Ahn SC, Kim DS, Lee JK, Kim DO, et al. Isolation and structural determination of squalene synthase inhibitor from Prunus mume fruit. J Microbiol Biotechnol 2007;17(12):1970-5.
    • (2007) J Microbiol Biotechnol , vol.17 , Issue.12 , pp. 1970-1975
    • Choi, S.W.1    Hur, N.Y.2    Ahn, S.C.3    Kim, D.S.4    Lee, J.K.5    Kim, D.O.6
  • 26
    • 0034730724 scopus 로고    scopus 로고
    • Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis
    • Pandit J, Danley DE, Schulte GK, Mazzalupo S, Pauly TA, Hayward CM, et al. Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis. J Biol Chem 2000;275(39):30610-7.
    • (2000) J Biol Chem , vol.275 , Issue.39 , pp. 30610-30617
    • Pandit, J.1    Danley, D.E.2    Schulte, G.K.3    Mazzalupo, S.4    Pauly, T.A.5    Hayward, C.M.6
  • 27
    • 0028922586 scopus 로고
    • LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions
    • Wallace AC, Laskowski RA, Thornton JM. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng 1995;8(2):127-34.
    • (1995) Protein Eng , vol.8 , Issue.2 , pp. 127-134
    • Wallace, A.C.1    Laskowski, R.A.2    Thornton, J.M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.