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Volumn 8, Issue 4, 2013, Pages

Prospecting for Novel Plant-Derived Molecules of Rauvolfia serpentina as Inhibitors of Aldose Reductase, a Potent Drug Target for Diabetes and Its Complications

Author keywords

[No Author keywords available]

Indexed keywords

2,6 DIMETHOXYBENZOQUINONE; 7 DEHYDROSITOSTEROL; AJMALICINE; AJMALINE; AJMALININE; ALDOSE REDUCTASE INHIBITOR; ALSTONINE; CHANDRINE; CORYNANTHINE; DESERPIDINE; INDOBINE; INDOBININE; ISOAJMALINE; OPHIOXYLIN; PAPAVERINE; PLANT MEDICINAL PRODUCT; RAUVOLFIA SERPENTINA EXTRACT; RAUWOLSCINE; RENOXIDINE; RESCINNAMINE; RESERPINE; SARPAGINE; SERPENTINE; SERPENTININE; SERPININE; STIGMASTEROL; TETRAPHYLLICINE; THEBAINE; UNCLASSIFIED DRUG; UNINDEXED DRUG; YOHIMBINE;

EID: 84876252310     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0061327     Document Type: Article
Times cited : (54)

References (75)
  • 1
    • 65649103414 scopus 로고    scopus 로고
    • Aldose reductase enzyme and its implication to major health problems of the 21(st) century
    • doi:10.2174/092986709787458362
    • Alexiou P, Pegklidou K, Chatzopoulou M, Nicolaou I, Demopoulos V, (2009) Aldose reductase enzyme and its implication to major health problems of the 21(st) century. Current Medicinal Chemistry 16: 734-752 doi:10.2174/092986709787458362.
    • (2009) Current Medicinal Chemistry , vol.16 , pp. 734-752
    • Alexiou, P.1    Pegklidou, K.2    Chatzopoulou, M.3    Nicolaou, I.4    Demopoulos, V.5
  • 3
    • 0035856980 scopus 로고    scopus 로고
    • Biochemistry and molecular cell biology of diabetic complications
    • doi:10.1038/414813a
    • Brownlee M, (2001) Biochemistry and molecular cell biology of diabetic complications. Nature 414: 813-820 doi:10.1038/414813a.
    • (2001) Nature , vol.414 , pp. 813-820
    • Brownlee, M.1
  • 4
    • 2342466734 scopus 로고    scopus 로고
    • Global prevalence of diabetes: estimates for the year 2000 and projections for 2030
    • doi:10.2337/diacare.27.5.1047
    • Wild S, Roglic G, Green A, Sicree R, King H, (2004) Global prevalence of diabetes: estimates for the year 2000 and projections for 2030. Diabetes Care 27: 1047-1053 doi:10.2337/diacare.27.5.1047.
    • (2004) Diabetes Care , vol.27 , pp. 1047-1053
    • Wild, S.1    Roglic, G.2    Green, A.3    Sicree, R.4    King, H.5
  • 5
    • 0025337372 scopus 로고
    • A thirty year journey in the polyol pathway
    • doi:10.1016/0014-4835(90)90096-D
    • Kinoshita J, (1990) A thirty year journey in the polyol pathway. Experimental Eye Research 50: 567-573 doi:10.1016/0014-4835(90)90096-D.
    • (1990) Experimental Eye Research , vol.50 , pp. 567-573
    • Kinoshita, J.1
  • 6
    • 0031920049 scopus 로고    scopus 로고
    • Aldose Reductase in Glucose Toxicity: A Potential Target for the Prevention of Diabetic Complications
    • Yabe Nishimura C, (1998) Aldose Reductase in Glucose Toxicity: A Potential Target for the Prevention of Diabetic Complications. Pharmacological Reviews 50: 21-33.
    • (1998) Pharmacological Reviews , vol.50 , pp. 21-33
    • Yabe Nishimura, C.1
  • 7
    • 84863847452 scopus 로고    scopus 로고
    • Aldose reductase, oxidative stress, and diabetic mellitus
    • doi:10.3389/fphar.2012.00087
    • Tang W, Martin K, Hwa J, (2012) Aldose reductase, oxidative stress, and diabetic mellitus. Frontiers in Pharmacology 3: 1-8 doi:10.3389/fphar.2012.00087.
    • (2012) Frontiers in Pharmacology , vol.3 , pp. 1-8
    • Tang, W.1    Martin, K.2    Hwa, J.3
  • 8
    • 84855180612 scopus 로고    scopus 로고
    • Inhibition of aldose reductase activates hepatic peroxisome proliferator-activated receptor-α and ameliorates hepatosteatosis in diabetic db/db mice
    • doi:10.1155/2012/789730
    • Qiu L, Lin J, Xu F, Gao Y, Zhang C, et al. (2012) Inhibition of aldose reductase activates hepatic peroxisome proliferator-activated receptor-α and ameliorates hepatosteatosis in diabetic db/db mice. Experimental Diabetes Research 2012: 1-8 doi:10.1155/2012/789730.
    • (2012) Experimental Diabetes Research , vol.2012 , pp. 1-8
    • Qiu, L.1    Lin, J.2    Xu, F.3    Gao, Y.4    Zhang, C.5
  • 9
    • 38849177363 scopus 로고    scopus 로고
    • Aldose reductase, still a compelling target for diabetic neuropathy
    • doi:10.2174/138945008783431781
    • Oates PJ, (2008) Aldose reductase, still a compelling target for diabetic neuropathy. Current Drug Targets 9: 14-36 doi:10.2174/138945008783431781.
    • (2008) Current Drug Targets , vol.9 , pp. 14-36
    • Oates, P.J.1
  • 10
    • 18844369302 scopus 로고    scopus 로고
    • Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options
    • doi:10.1210/er.2004-0028
    • Srivastava SK, Ramana K V, Bhatnagar A, (2005) Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options. Endocrine Reviews 26: 380-392 doi:10.1210/er.2004-0028.
    • (2005) Endocrine Reviews , vol.26 , pp. 380-392
    • Srivastava, S.K.1    Ramana, K.V.2    Bhatnagar, A.3
  • 12
    • 0021828899 scopus 로고
    • Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications
    • doi:10.1021/jm00145a001
    • Kador P, Kinoshita J, Sharpless N, (1985) Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications. Journal of Medicinal Chemistry 28: 841-849 doi:10.1021/jm00145a001.
    • (1985) Journal of Medicinal Chemistry , vol.28 , pp. 841-849
    • Kador, P.1    Kinoshita, J.2    Sharpless, N.3
  • 14
    • 84860307414 scopus 로고    scopus 로고
    • Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step
    • doi:10.1016/j.ejmech.2012.02.045
    • Ramunno A, Cosconati S, Sartini S, Maglio V, Angiuoli S, et al. (2012) Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step. European Journal of Medicinal Chemistry 51: 216-226 doi:10.1016/j.ejmech.2012.02.045.
    • (2012) European Journal of Medicinal Chemistry , vol.51 , pp. 216-226
    • Ramunno, A.1    Cosconati, S.2    Sartini, S.3    Maglio, V.4    Angiuoli, S.5
  • 15
    • 0030152978 scopus 로고    scopus 로고
    • Clinical investigation of epalrestat, an aldose reductase inhibitor, on diabetic neuropathy in Japan: Multicenter study
    • doi:10.1016/1056-8727(96)00113-4
    • Hotta N, Sakamoto N, Shigeta Y, Kikkawa R, Goto Y, (1996) Clinical investigation of epalrestat, an aldose reductase inhibitor, on diabetic neuropathy in Japan: Multicenter study. Journal of Diabetes and its Complications 10: 168-172 doi:10.1016/1056-8727(96)00113-4.
    • (1996) Journal of Diabetes and Its Complications , vol.10 , pp. 168-172
    • Hotta, N.1    Sakamoto, N.2    Shigeta, Y.3    Kikkawa, R.4    Goto, Y.5
  • 16
    • 0027691439 scopus 로고
    • Epalrestat. A review of its pharmacology, and therapeutic potential in late-onset complications of diabetes mellitus
    • doi:10.2165/00002512-199303060-00007
    • Steele JW, Faulds D, Goa KL, (1993) Epalrestat. A review of its pharmacology, and therapeutic potential in late-onset complications of diabetes mellitus. Drugs & Aging 3: 532-555 doi:10.2165/00002512-199303060-00007.
    • (1993) Drugs & Aging , vol.3 , pp. 532-555
    • Steele, J.W.1    Faulds, D.2    Goa, K.L.3
  • 18
    • 79957549510 scopus 로고    scopus 로고
    • Aldose reductase inhibition suppresses oxidative stress-induced inflammatory disorders
    • doi:10.1016/j.cbi.2011.02.023
    • Srivastava S, Yadav U, Reddy A, Saxena A, Tammali R, et al. (2011) Aldose reductase inhibition suppresses oxidative stress-induced inflammatory disorders. Chemico-Bological Interactions 191: 330-338 doi:10.1016/j.cbi.2011.02.023.
    • (2011) Chemico-Bological Interactions , vol.191 , pp. 330-338
    • Srivastava, S.1    Yadav, U.2    Reddy, A.3    Saxena, A.4    Tammali, R.5
  • 20
    • 0031039903 scopus 로고    scopus 로고
    • Worldwide pharmacovigilance systems and tolrestat withdrawal
    • doi:10.1016/S0140-6736(97)80018-9
    • Foppiano M, Lombardo G, (1997) Worldwide pharmacovigilance systems and tolrestat withdrawal. The Lancet 349: 399-400 doi:10.1016/S0140-6736(97)80018-9.
    • (1997) The Lancet , vol.349 , pp. 399-400
    • Foppiano, M.1    Lombardo, G.2
  • 21
    • 77956227831 scopus 로고    scopus 로고
    • Aldose reductase inhibitors in the treatment of diabetic peripheral neuropathy: a review
    • doi:10.1016/j.jdiacomp.2009.07.005
    • Schemmel K, Padiyara R, D'Souza J, (2010) Aldose reductase inhibitors in the treatment of diabetic peripheral neuropathy: a review. Journal of Diabetes and its Complications 24: 354-360 doi:10.1016/j.jdiacomp.2009.07.005.
    • (2010) Journal of Diabetes and Its Complications , vol.24 , pp. 354-360
    • Schemmel, K.1    Padiyara, R.2    D'Souza, J.3
  • 22
  • 24
    • 84859226441 scopus 로고    scopus 로고
    • The isolation and characterization of β-glucogallin as a novel aldose reductase inhibitor from Emblica officinalis
    • doi:10.1371/journal.pone.0031399
    • Puppala M, Ponder J, Suryanarayana P, Reddy G, Petrash J, et al. (2012) The isolation and characterization of β-glucogallin as a novel aldose reductase inhibitor from Emblica officinalis. PloS One 7: 1-9 doi:10.1371/journal.pone.0031399.
    • (2012) PloS One , vol.7 , pp. 1-9
    • Puppala, M.1    Ponder, J.2    Suryanarayana, P.3    Reddy, G.4    Petrash, J.5
  • 25
    • 84856228545 scopus 로고    scopus 로고
    • Construction of an Indonesian herbal constituents database and its use in Random Forest modelling in a search for inhibitors of aldose reductase
    • doi:10.1016/j.bmc.2011.12.033
    • Naeem S, Hylands P, Barlow D, (2012) Construction of an Indonesian herbal constituents database and its use in Random Forest modelling in a search for inhibitors of aldose reductase. Bioorganic & Medicinal Chemistry 20: 1251-1258 doi:10.1016/j.bmc.2011.12.033.
    • (2012) Bioorganic & Medicinal Chemistry , vol.20 , pp. 1251-1258
    • Naeem, S.1    Hylands, P.2    Barlow, D.3
  • 26
    • 84860760509 scopus 로고    scopus 로고
    • Design and synthesis of screening libraries based on the muurolane natural product scaffold
    • doi:10.1039/c2ob00029f
    • Barnes EC, Choomuenwai V, Andrews KT, Quinn RJ, Davis RA, (2012) Design and synthesis of screening libraries based on the muurolane natural product scaffold. Organic & Biomolecular Chemistry 10: 4015-4023 doi:10.1039/c2ob00029f.
    • (2012) Organic & Biomolecular Chemistry , vol.10 , pp. 4015-4023
    • Barnes, E.C.1    Choomuenwai, V.2    Andrews, K.T.3    Quinn, R.J.4    Davis, R.A.5
  • 27
    • 79951700756 scopus 로고    scopus 로고
    • Ethnobotanical aspects of Rauvolfia serpentina (L). Benth. ex Kurz. in India, Nepal and Bangladesh
    • Dey A, De J, (2011) Ethnobotanical aspects of Rauvolfia serpentina (L). Benth. ex Kurz. in India, Nepal and Bangladesh. Journal of Medicinal Plants Research 5: 144-150.
    • (2011) Journal of Medicinal Plants Research , vol.5 , pp. 144-150
    • Dey, A.1    De, J.2
  • 28
    • 77954163090 scopus 로고    scopus 로고
    • Rapid Multiplication of Rauvolfia serpentina Benth. ex. kurz through tissue culture
    • doi:10.3126/sw.v6i6.2635
    • Pant K, Joshi S, (2008) Rapid Multiplication of Rauvolfia serpentina Benth. ex. kurz through tissue culture. Scientific World 6: 58-62 doi:10.3126/sw.v6i6.2635.
    • (2008) Scientific World , vol.6 , pp. 58-62
    • Pant, K.1    Joshi, S.2
  • 29
    • 70449647156 scopus 로고    scopus 로고
    • Hypoglyceamic and Hypolipidemic Activities of Rauwolfia serpentina in Alloxan-Induced Diabetic Rats
    • doi:10.3923/ijp.2009.323.326
    • Qureshi S, Nawaz A, Udani S, Azmi B, (2009) Hypoglyceamic and Hypolipidemic Activities of Rauwolfia serpentina in Alloxan-Induced Diabetic Rats. International Journal of Pharmacology 5: 323-326 doi:10.3923/ijp.2009.323.326.
    • (2009) International Journal of Pharmacology , vol.5 , pp. 323-326
    • Qureshi, S.1    Nawaz, A.2    Udani, S.3    Azmi, B.4
  • 30
    • 84866137259 scopus 로고    scopus 로고
    • Methanolic Root Extract of Rauwolfia serpentina Improves the Glucose Tolerance in Wister Mice
    • doi:10.6227/jfda.2012200208
    • Azmi M, Qureshi A, (2012) Methanolic Root Extract of Rauwolfia serpentina Improves the Glucose Tolerance in Wister Mice. Journal of Food and Drug Analysis 20: 484-488 doi:10.6227/jfda.2012200208.
    • (2012) Journal of Food and Drug Analysis , vol.20 , pp. 484-488
    • Azmi, M.1    Qureshi, A.2
  • 31
    • 61849149464 scopus 로고    scopus 로고
    • Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors
    • doi:10.1016/j.bmcl.2009.02.049
    • Xie HZ, Li LL, Ren JX, Zou J, Yang L, et al. (2009) Pharmacophore modeling study based on known spleen tyrosine kinase inhibitors together with virtual screening for identifying novel inhibitors. Bioorganic & medicinal chemistry letters 19: 1944-1949 doi:10.1016/j.bmcl.2009.02.049.
    • (2009) Bioorganic & Medicinal Chemistry Letters , vol.19 , pp. 1944-1949
    • Xie, H.Z.1    Li, L.L.2    Ren, J.X.3    Zou, J.4    Yang, L.5
  • 32
    • 0036191826 scopus 로고    scopus 로고
    • Discovery of new inhibitors of aldose reductase from molecular docking and database screening
    • doi:10.1016/S0968-0896(01)00410-2
    • Rastelli G, Ferrari AM, Costantino L, Gamberini MC, (2002) Discovery of new inhibitors of aldose reductase from molecular docking and database screening. Bioorganic & medicinal chemistry 10: 1437-1450 doi:10.1016/S0968-0896(01)00410-2.
    • (2002) Bioorganic & Medicinal Chemistry , vol.10 , pp. 1437-1450
    • Rastelli, G.1    Ferrari, A.M.2    Costantino, L.3    Gamberini, M.C.4
  • 33
    • 84867074819 scopus 로고    scopus 로고
    • Identification of SRC as a potent drug target for asthma, using an integrative approach of protein interactome analysis and in silico drug discovery
    • doi:10.1089/omi.2011.0160
    • Randhawa V, Bagler G, (2012) Identification of SRC as a potent drug target for asthma, using an integrative approach of protein interactome analysis and in silico drug discovery. OMICS: A Journal of Integrative Biology 16: 513-526 doi:10.1089/omi.2011.0160.
    • (2012) OMICS: A Journal of Integrative Biology , vol.16 , pp. 513-526
    • Randhawa, V.1    Bagler, G.2
  • 34
    • 12244305549 scopus 로고    scopus 로고
    • Structural analysis of the inhibition of Cdk4 and Cdk6 by p16(INK4a) through Molecular Dynamics simulations
    • doi:10.1080/07391102.2002.10506853
    • Villacañas O, Pérez JJ, Rubio-Martínez J, (2002) Structural analysis of the inhibition of Cdk4 and Cdk6 by p16(INK4a) through Molecular Dynamics simulations. Journal of Biomolecular Structure & Dynamics 20: 347-358 doi:10.1080/07391102.2002.10506853.
    • (2002) Journal of Biomolecular Structure & Dynamics , vol.20 , pp. 347-358
    • Villacañas, O.1    Pérez, J.J.2    Rubio-Martínez, J.3
  • 35
    • 0030534012 scopus 로고    scopus 로고
    • Three dimensional structure database searches
    • In: Lipkowitz KB, Boyd DB, editors, Hoboken, NJ, USA: John Wiley & Sons, Inc., doi:10.1002/9780470125847.ch2
    • Good A, Mason J (2007) Three dimensional structure database searches. In: Lipkowitz KB, Boyd DB, editors. Reviews in Computational Chemistry. Hoboken, NJ, USA: John Wiley & Sons, Inc., Vol. 7. doi:10.1002/9780470125847.ch2.
    • (2007) Reviews in Computational Chemistry , vol.7
    • Good, A.1    Mason, J.2
  • 36
    • 33747200808 scopus 로고    scopus 로고
    • Combining docking and molecular dynamic simulations in drug design
    • doi:10.1002/med.20067
    • Alonso H, Bliznyuk AA, Gready JE, (2006) Combining docking and molecular dynamic simulations in drug design. Medicinal Research Reviews 26: 531-568 doi:10.1002/med.20067.
    • (2006) Medicinal Research Reviews , vol.26 , pp. 531-568
    • Alonso, H.1    Bliznyuk, A.A.2    Gready, J.E.3
  • 37
    • 13844312649 scopus 로고    scopus 로고
    • ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
    • doi:10.1021/ci049714
    • Irwin J, Shoichet B, (2005) ZINC- A Free Database of Commercially Available Compounds for Virtual Screening. Journal of Chemical Information and Modeling 45: 177-182 doi:10.1021/ci049714.
    • (2005) Journal of Chemical Information and Modeling , vol.45 , pp. 177-182
    • Irwin, J.1    Shoichet, B.2
  • 38
    • 84876209969 scopus 로고    scopus 로고
    • A database on antidiabetic plants. Available:.Accessed 27 Sept 2012., Available:.Accessed 27 Sept 2012
    • A database on antidiabetic plants. (2012). Available:http://herbalmedicinalplants.org/index.php.Accessed 27 Sept 2012.
    • (2012)
  • 39
    • 84876223550 scopus 로고    scopus 로고
    • GLOBinMeD-Global Information Hub On Integrated Medicine. Available
    • GLOBinMeD-Global Information Hub On Integrated Medicine. (2007). Available:http://www.globinmed.com/index.php?option=com_content&view=article&id=79110:rauvolfia-serpentina-benth&catid=720:r#6.Accessed 27 Sept 2012.
    • (2007)
  • 40
    • 84876206296 scopus 로고    scopus 로고
    • INDIA HERBS (CardiofyTM)- Cardiovascular System Support. Available:.Accessed 4 October 2012., Available:.Accessed 4 October 2012
    • INDIA HERBS (CardiofyTM)- Cardiovascular System Support. (2002). Available:http://www.cardiofy.com/index.htm.Accessed 4 October 2012.
    • (2002)
  • 44
    • 0004237726 scopus 로고    scopus 로고
    • 52nd ed. San Diego, USA: Academic Press
    • Cordell G (1998) The Alkaloids. 52nd ed. San Diego, USA: Academic Press.
    • (1998) The Alkaloids
    • Cordell, G.1
  • 48
    • 76149120388 scopus 로고    scopus 로고
    • AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
    • doi:10.1002/jcc.21334
    • Trott O, Olson A, (2010) AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry 31: 455-461 doi:10.1002/jcc.21334.
    • (2010) Journal of Computational Chemistry , vol.31 , pp. 455-461
    • Trott, O.1    Olson, A.2
  • 49
    • 58749084516 scopus 로고    scopus 로고
    • Using AutoDock for ligand-receptor docking
    • Unit 8.14. doi:10.1002/0471250953.bi0814s24
    • Morris GM, Huey R, Olson AJ (2008) Using AutoDock for ligand-receptor docking. Current Protocols in Bioinformatics 24: Unit 8.14. doi:10.1002/0471250953.bi0814s24.
    • (2008) Current Protocols in Bioinformatics , vol.24
    • Morris, G.M.1    Huey, R.2    Olson, A.J.3
  • 50
    • 2542571016 scopus 로고    scopus 로고
    • Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 Å
    • doi:10.1002/prot.20015
    • Howard E, Sanishvili R, Cachau R, Mitschler A, Chevrier B, et al. (2004) Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 Å. Proteins: Structure, Function, and Bioinformatics 55: 792-804 doi:10.1002/prot.20015.
    • (2004) Proteins: Structure, Function, and Bioinformatics , vol.55 , pp. 792-804
    • Howard, E.1    Sanishvili, R.2    Cachau, R.3    Mitschler, A.4    Chevrier, B.5
  • 51
  • 52
    • 27544491192 scopus 로고    scopus 로고
    • ROCR: visualizing classifier performance in R
    • doi:10.1093/bioinformatics/bti623
    • Sing T, Sander O, Beerenwinkel N, Lengauer T, (2005) ROCR: visualizing classifier performance in R. Bioinformatics. 21: 3940-3941 doi:10.1093/bioinformatics/bti623.
    • (2005) Bioinformatics , vol.21 , pp. 3940-3941
    • Sing, T.1    Sander, O.2    Beerenwinkel, N.3    Lengauer, T.4
  • 53
    • 80054911951 scopus 로고    scopus 로고
    • LigPlot+: multiple ligand-protein interaction diagrams for drug discovery
    • doi:10.1021/ci200227u
    • Laskowski R, Swindells M, (2011) LigPlot+: multiple ligand-protein interaction diagrams for drug discovery. Journal of Chemical Information and Modeling 51: 2778-2786 doi:10.1021/ci200227u.
    • (2011) Journal of Chemical Information and Modeling , vol.51 , pp. 2778-2786
    • Laskowski, R.1    Swindells, M.2
  • 54
    • 0029633168 scopus 로고
    • GROMACS: A message-passing parallel molecular dynamics implementation
    • doi:10.1016/0010-4655(95)00042-E
    • Berendsen HJC, Van der Spoel D, Van Drunen R, (1995) GROMACS: A message-passing parallel molecular dynamics implementation. Computer Physics Communications 91: 43-56 doi:10.1016/0010-4655(95)00042-E.
    • (1995) Computer Physics Communications , vol.91 , pp. 43-56
    • Berendsen, H.J.C.1    Van der Spoel, D.2    Van Drunen, R.3
  • 56
    • 0002775934 scopus 로고
    • Interaction models for water in relation to protein hydration
    • In: Pullman B, editor, Dordrecht, The Netherlands: D Reidel Publishing Company
    • Berendsen HJC, Postma JPM, Gunsteren WF Van, Hermans J (1981) Interaction models for water in relation to protein hydration. In: Pullman B, editor. Intermolecular Forces. Dordrecht, The Netherlands: D Reidel Publishing Company. 331-342.
    • (1981) Intermolecular Forces , pp. 331-342
    • Berendsen, H.J.C.1    Postma, J.P.M.2    Van Gunsteren, W.F.3    Hermans, J.4
  • 60
    • 84986440341 scopus 로고
    • Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
    • doi:10.1002/jcc.540130805
    • Miyamoto S, Kollman PA, (1992) Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models. Journal of Computational Chemistry 13: 952-962 doi:10.1002/jcc.540130805.
    • (1992) Journal of Computational Chemistry , vol.13 , pp. 952-962
    • Miyamoto, S.1    Kollman, P.A.2
  • 63
    • 84863525156 scopus 로고    scopus 로고
    • DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets
    • doi:10.1093/bioinformatics/bts249
    • Cereto-Massagué A, Guasch L, Valls C, Mulero M, Pujadas G, et al. (2012) DecoyFinder: an easy-to-use python GUI application for building target-specific decoy sets. Bioinformatics 28: 1661-1662 doi:10.1093/bioinformatics/bts249.
    • (2012) Bioinformatics , vol.28 , pp. 1661-1662
    • Cereto-Massagué, A.1    Guasch, L.2    Valls, C.3    Mulero, M.4    Pujadas, G.5
  • 64
    • 0034461768 scopus 로고    scopus 로고
    • Drug-like properties and the causes of poor solubility and poor permeability
    • doi:10.1016/S1056-8719(00)00107-6
    • Lipinski CA, (2000) Drug-like properties and the causes of poor solubility and poor permeability. Journal of Pharmacological and Toxicological Methods 44: 235-249 doi:10.1016/S1056-8719(00)00107-6.
    • (2000) Journal of Pharmacological and Toxicological Methods , vol.44 , pp. 235-249
    • Lipinski, C.A.1
  • 65
    • 84864722279 scopus 로고    scopus 로고
    • Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation
    • doi:10.1007/s00894-012-1368-5
    • Yap BK, Buckle MJC, Doughty SW, (2012) Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation. Journal of Molecular Modeling 18: 3639-3655 doi:10.1007/s00894-012-1368-5.
    • (2012) Journal of Molecular Modeling , vol.18 , pp. 3639-3655
    • Yap, B.K.1    Buckle, M.J.C.2    Doughty, S.W.3
  • 66
    • 17144385534 scopus 로고    scopus 로고
    • Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4
    • doi:10.1021/jm049092j
    • Triballeau N, Acher F, Brabet I, Pin JP, Bertrand HO, (2005) Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4. Journal of medicinal chemistry 48: 2534-2547 doi:10.1021/jm049092j.
    • (2005) Journal of Medicinal Chemistry , vol.48 , pp. 2534-2547
    • Triballeau, N.1    Acher, F.2    Brabet, I.3    Pin, J.P.4    Bertrand, H.O.5
  • 68
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: methods and applications
    • doi:10.1038/nrd1549
    • Kitchen D, Decornez H, Furr J, Bajorath J, (2004) Docking and scoring in virtual screening for drug discovery: methods and applications. Nature Reviews Drug Discovery 3: 935-949 doi:10.1038/nrd1549.
    • (2004) Nature Reviews Drug Discovery , vol.3 , pp. 935-949
    • Kitchen, D.1    Decornez, H.2    Furr, J.3    Bajorath, J.4
  • 69
    • 0842349389 scopus 로고    scopus 로고
    • Novel technologies for virtual screening
    • doi:10.1016/S1359-6446(04)02939-3
    • Lengauer T, Lemmen C, Rarey M, Zimmermann M, (2004) Novel technologies for virtual screening. Drug Discovery Today 9: 27-34 doi:10.1016/S1359-6446(04)02939-3.
    • (2004) Drug Discovery Today , vol.9 , pp. 27-34
    • Lengauer, T.1    Lemmen, C.2    Rarey, M.3    Zimmermann, M.4
  • 71
    • 1042265247 scopus 로고    scopus 로고
    • Approaches to Measure Chemical Similarity - a Review
    • doi:10.1002/qsar.200330831
    • Nikolova N, Jaworska J, (2003) Approaches to Measure Chemical Similarity - a Review. QSAR & Combinatorial Science 22: 1006-1026 doi:10.1002/qsar.200330831.
    • (2003) QSAR & Combinatorial Science , vol.22 , pp. 1006-1026
    • Nikolova, N.1    Jaworska, J.2
  • 72
    • 33746189504 scopus 로고    scopus 로고
    • Bioassay-guided isolation of aldose reductase inhibitors from Artemisia dracunculus
    • doi:10.1016/j.phytochem.2006.05.015
    • Logendra S, Ribnicky DM, Yang H, Poulev A, Ma J, et al. (2006) Bioassay-guided isolation of aldose reductase inhibitors from Artemisia dracunculus. Phytochemistry 67: 1539-1546 doi:10.1016/j.phytochem.2006.05.015.
    • (2006) Phytochemistry , vol.67 , pp. 1539-1546
    • Logendra, S.1    Ribnicky, D.M.2    Yang, H.3    Poulev, A.4    Ma, J.5
  • 73
    • 70349332928 scopus 로고    scopus 로고
    • Docking and molecular dynamics studies toward the binding of new natural phenolic marine inhibitors and aldose reductase
    • doi:10.1016/j.jmgm.2009.06.003
    • Wang Z, Ling B, Zhang R, Suo Y, Liu Y, et al. (2009) Docking and molecular dynamics studies toward the binding of new natural phenolic marine inhibitors and aldose reductase. Journal of Molecular Graphics & Modelling 28: 162-169 doi:10.1016/j.jmgm.2009.06.003.
    • (2009) Journal of Molecular Graphics & Modelling , vol.28 , pp. 162-169
    • Wang, Z.1    Ling, B.2    Zhang, R.3    Suo, Y.4    Liu, Y.5
  • 74
    • 0036191826 scopus 로고    scopus 로고
    • Discovery of new inhibitors of aldose reductase from molecular docking and database screening
    • doi:10.1016/S0968-0896(01)00410-2
    • Rastelli G, Ferrari AM, Costantino L, Gamberini MC, (2002) Discovery of new inhibitors of aldose reductase from molecular docking and database screening. Bioorganic & medicinal chemistry 10: 1437-1450 doi:10.1016/S0968-0896(01)00410-2.
    • (2002) Bioorganic & Medicinal Chemistry , vol.10 , pp. 1437-1450
    • Rastelli, G.1    Ferrari, A.M.2    Costantino, L.3    Gamberini, M.C.4
  • 75
    • 84864701871 scopus 로고    scopus 로고
    • Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2
    • doi:10.1007/s00894-011-1247-5
    • Sakkiah S, Thangapandian S, Lee KW, (2012) Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2. Journal of molecular modeling 18: 3267-3282 doi:10.1007/s00894-011-1247-5.
    • (2012) Journal of Molecular Modeling , vol.18 , pp. 3267-3282
    • Sakkiah, S.1    Thangapandian, S.2    Lee, K.W.3


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