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Volumn 75, Issue 16-17, 2012, Pages 1012-1022

Molecular docking studies of disubstituted diaryl diselenides as mammalian δ-aminolevulinic acid dehydratase enzyme inhibitors

Author keywords

[No Author keywords available]

Indexed keywords

BIS(4 CHLOROPHENYL)DISELENIDE DERIVATIVE; BIS(4 METHOXYPHENYL)DISELENIDE DERIVATIVE; BIS[3 (TRIFLUOROMETHY)PHENYL]DISELENIDE DERIVATIVE; DIPHENYL DISELENIDE DERIVATIVE; ENZYME INHIBITOR; LEAD; PORPHOBILINOGEN SYNTHASE; UNCLASSIFIED DRUG;

EID: 84984549568     PISSN: 15287394     EISSN: 10872620     Source Type: Journal    
DOI: 10.1080/15287394.2012.697810     Document Type: Conference Paper
Times cited : (14)

References (53)
  • 2
    • 84984539799 scopus 로고    scopus 로고
    • Acute treatment with diphenyl diselenide inhibits glutamate uptake into rat hippocampal slices and modifies glutamate transporters, SNAP-25, and GFAP immunocontent
    • Ardais, A. P., Viola, G. G., Costa, M. S., Nunes, F., Behr, G. A., Klamt, F., Moreira, J. C., Souza, D. O., Rocha, J. B., and Porciüncula, L. O. 2010. Acute treatment with diphenyl diselenide inhibits glutamate uptake into rat hippocampal slices and modifies glutamate transporters, SNAP-25, and GFAP immunocontent. Toxicol. Sci. 113: 434-43.
    • (2010) Toxicol. Sci. , vol.113 , pp. 434-443
    • Ardais, A.P.1    Viola, G.G.2    Costa, M.S.3    Nunes, F.4    Behr, G.A.5    Klamt, F.6    Moreira, J.C.7    Souza, D.O.8    Rocha, J.B.9    Porciüncula, L.O.10
  • 3
    • 84984558818 scopus 로고    scopus 로고
    • Effect of organic forms of selenium on δ-aminolevulinate dehydratase from liver, kidney, and brain of adult rats
    • DOI 10.1006/taap.1998.8373
    • Barbosa, N. B. V., Rocha, J. B. T., Zeni, G., Emanuelli, T., Beque, M. C., and Braga, A. L. 1998. Effect of organic forms of selenium on delta-aminolevulinate dehydratase from liver, kidney, and brain of adult rats. Toxicol. Appl. Pharmacol. 149: 243-53. (Pubitemid 28202371)
    • (1998) Toxicology and Applied Pharmacology , vol.149 , Issue.2 , pp. 243-253
    • Barbosa, N.B.V.1    Rocha, J.B.T.2    Zeni, G.3    Emanuelli, T.4    Beque, M.C.5    Braga, A.L.6
  • 7
    • 77957820654 scopus 로고    scopus 로고
    • Virtual screening for HIV protease inhibitors: A comparison of AutoDock 4 and Vina
    • ChangM.W., Ayeni, C., Breuer, S., and Torbett, B. E. 2010. Virtual screening for HIV protease inhibitors: A comparison of AutoDock 4 and Vina. PLoS ONE 5: e11955.
    • (2010) PLoS ONE , vol.5
    • Chang, M.W.1    Ayeni, C.2    Breuer, S.3    Torbett, B.E.4
  • 10
    • 84984559398 scopus 로고    scopus 로고
    • Diphenyl diselenide, a simple organoselenium compound, decreases methylmercury-induced cerebral, hepatic and renal oxidative stress and mercury deposition in adult mice
    • de Freitas, A. S., Funck, V. R., Rotta, M. S., Bohrer, D., Mörschbächer, V., Puntel, R., Nogueira, C. W., Farina, M., Aschner, M., and Rocha, J. B. 2009. Diphenyl diselenide, a simple organoselenium compound, decreases methylmercury-induced cerebral, hepatic and renal oxidative stress and mercury deposition in adult mice. Brain Res Bull. 79: 77-84.
    • (2009) Brain Res Bull. , vol.79 , pp. 77-84
    • De Freitas, A.S.1    Funck, V.R.2    Rotta, M.S.3    Bohrer, D.4    Mörschbächer, V.5    Puntel, R.6    Nogueira, C.W.7    Farina, M.8    Aschner, M.9    Rocha, J.B.10
  • 11
    • 84984590339 scopus 로고    scopus 로고
    • Delta-Aminolevulinate dehydratase inhibition by 2,3-dimercaptopropanol is mediated by chelation of zinc from a site involved in maintaining cysteinyl residues in a reduced state
    • Emanuelli, T., Rocha, J. B., Pereira, M. E., Nascimento, P. C., Souza, D. O., and Beber, F. A. 1998. delta-Aminolevulinate dehydratase inhibition by 2,3-dimercaptopropanol is mediated by chelation of zinc from a site involved in maintaining cysteinyl residues in a reduced state. Pharmacol. Toxicol. 83: 95-103. (Pubitemid 28432375)
    • (1998) Pharmacology and Toxicology , vol.83 , Issue.3 , pp. 95-103
    • Emanuelli, T.1    Rocha, J.B.T.2    Pereira, M.E.3    Nascimento, P.C.4    Souza, D.O.G.5    Beber, F.A.6
  • 12
    • 78650384685 scopus 로고    scopus 로고
    • Computational insights into the mechanism of porphobilinogen synthase
    • Erdtman, E., Bushnell, E. A. C., Gauld, J. W., and Eriksson, L. A. 2010. Computational insights into the mechanism of porphobilinogen synthase. J. Phys. Chem. B. 114: 16860-70.
    • (2010) J. Phys. Chem. B. , vol.114 , pp. 16860-16870
    • Erdtman, E.1    Bushnell, E.A.C.2    Gauld, J.W.3    Eriksson, L.A.4
  • 13
    • 84984588873 scopus 로고    scopus 로고
    • Effects of ethanol and diphenyl diselenide exposure on the activity of delta-aminolevulinate dehydratase from mouse liver and brain
    • DOI 10.1016/j.fct.2005.10.014, PII S0278691505003315
    • Fachinetto, R., Pivetta, L. A., Farina,M., Pereira, R. P., Nogueira, C. W., and Rocha, J. B. 2006. Effects of ethanol and diphenyl diselenide exposure on the activity of Delta aminolevulinate dehydratase from mouse liver and brain. Food. Chem. Toxicol. 44: 588-94. (Pubitemid 43375138)
    • (2006) Food and Chemical Toxicology , vol.44 , Issue.4 , pp. 588-594
    • Fachinetto, R.1    Pivetta, L.A.2    Farina, M.3    Pereira, R.P.4    Nogueira, C.W.5    Rocha, J.B.T.6
  • 17
    • 84984541368 scopus 로고    scopus 로고
    • Involvement of oxidative stress in the pre-malignant and malignant states of cervical cancer in women
    • DOI 10.1016/j.clinbiochem.2005.09.008, PII S0009912005002602
    • Gonçalves T. L., Erthal, F., Corte, C. L., Müller, L. G., Piovezan, C. M., Nogueira, C. W., and Rocha, J. B. 2005. Involvement of oxidative stress in the pre-malignant and malignant states of cervical cancer in women. Clin. Biochem. 38: 1071-75. (Pubitemid 41797746)
    • (2005) Clinical Biochemistry , vol.38 , Issue.12 , pp. 1071-1075
    • Goncalves, T.L.1    Erthal, F.2    Corte, C.L.D.3    Muller, L.G.4    Piovezan, C.M.5    Nogueira, C.W.6    Rocha, J.B.T.7
  • 18
    • 67649783643 scopus 로고    scopus 로고
    • Delta-ALAD activity is a reliable marker for oxidative stress in bone marrow transplant patients
    • Gonçalves, T. L., Benvegnü, D. M., Bonfanti, G., Frediani, A. V., and Rocha, J. B. 2009. Delta-ALAD activity is a reliable marker for oxidative stress in bone marrow transplant patients. BMC Cancer 9: 138.
    • (2009) BMC Cancer , vol.9 , pp. 138
    • Gonçalves, T.L.1    Benvegnü, D.M.2    Bonfanti, G.3    Frediani, A.V.4    Rocha, J.B.5
  • 20
    • 44549088704 scopus 로고    scopus 로고
    • The biochemistry of heme biosynthesis
    • Heinemann, I. L., Jahn, M., and Jahn, D. 2008. The biochemistry of heme biosynthesis. Biochem. Biophys. 474: 218-51.
    • (2008) Biochem. Biophys. , vol.474 , pp. 218-251
    • Heinemann, I.L.1    Jahn, M.2    Jahn, D.3
  • 21
    • 84984589207 scopus 로고    scopus 로고
    • Diphenyl diselenide effectively reduces atherosclerotic lesions in LDLr -/-mice by attenuation of oxidative stress and inflammation
    • Hort, M. A., Straliotto, M. R., Netto, P. M., da Rocha, J. B., de Bem, A. F., and Ribeiro-do-Valle, R. M. 2011. Diphenyl diselenide effectively reduces atherosclerotic lesions in LDLr -/-mice by attenuation of oxidative stress and inflammation. J. Cardiovasc. Pharmacol. 58: 91-101.
    • (2011) J. Cardiovasc. Pharmacol. , vol.58 , pp. 91-101
    • Hort, M.A.1    Straliotto, M.R.2    Netto, P.M.3    Da Rocha, J.B.4    De Bem, A.F.5    Ribeiro-Do-Valle, R.M.6
  • 22
    • 0035846948 scopus 로고    scopus 로고
    • The molecular mechanism of lead inhibition of human porphobilinogen synthase
    • DOI 10.1074/jbc.M007663200
    • Jaffe, E. K., Martins, J., Li, J., Kervinen, J., and Dunbrack, R. L., Jr. 2001. The molecular mechanism of lead inhibition of human porphobilinogen synthase. J. Biol. Chem. 276: 1531-37. (Pubitemid 32096588)
    • (2001) Journal of Biological Chemistry , vol.276 , Issue.2 , pp. 1531-1537
    • Jaffe, E.K.1    Martins, J.2    Li, J.3    Kervinen, J.4    Dunbrack Jr., R.L.5
  • 23
    • 0037257313 scopus 로고    scopus 로고
    • An unusual phylogenetic variation in the metal ion binding sites of porphobilinogen synthase
    • DOI 10.1016/S1074-5521(02)00296-X
    • Jaffe, E. K. 2003. An unusual phylogenetic variation in the metal ion binding sites of porphobilinogen synthase. Chem. Biol. 10: 25-34. (Pubitemid 36154471)
    • (2003) Chemistry and Biology , vol.10 , Issue.1 , pp. 25-34
    • Jaffe, E.K.1
  • 24
    • 4644261553 scopus 로고    scopus 로고
    • The porphobilinogen synthase catalyzed reaction mechanism
    • DOI 10.1016/j.bioorg.2004.05.010, PII S0045206804000380, Mechanic Enzymology
    • Jaffe, E. K. 2004. The porphobilinogen synthase catalyzed reaction mechanism. Bioorg. Chem.32: 316-25. (Pubitemid 39277439)
    • (2004) Bioorganic Chemistry , vol.32 , Issue.5 , pp. 316-325
    • Jaffe, E.K.1
  • 25
    • 0036890178 scopus 로고    scopus 로고
    • Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation
    • DOI 10.1002/jcc.10128
    • Jakalian, A., Jack, D. B., and Bayly, C. I. 2002. Fast, efficient generation of highquality atomic charges. AM1-BCC model: II. Parameterization and validation. J. Comput. Chem. 23: 1623-41. (Pubitemid 35330860)
    • (2002) Journal of Computational Chemistry , vol.23 , Issue.16 , pp. 1623-1641
    • Jakalian, A.1    Jack, D.B.2    Bayly, C.I.3
  • 26
    • 84984586905 scopus 로고    scopus 로고
    • Comparative study on the influence of subcutaneous administration of diphenyl and dicholesteroyl diselenides on sulphydryl proteins and antioxidant parameters in mice
    • Kade, I. J., and Rocha, J. B. T. 2010. Comparative study on the influence of subcutaneous administration of diphenyl and dicholesteroyl diselenides on sulphydryl proteins and antioxidant parameters in mice. J. Appl. Toxicol. 30: 688-93.
    • (2010) J. Appl. Toxicol. , vol.30 , pp. 688-693
    • Kade, I.J.1    Rocha, J.B.T.2
  • 27
    • 0035399902 scopus 로고    scopus 로고
    • δ-aminolevulinic acid dehydratase genotype and lead toxicity: A HuGE review
    • DOI 10.1093/aje/154.1.1
    • Kelada, S. N., Shelton, E., Kaufmann, R. B., and Khoury, M. J. 2001. The δ-aminolevulinicacid dehydratase genotype and lead toxicity: A HuGE review. Am. J. Epidemiol. 154: 1-13. (Pubitemid 32565680)
    • (2001) American Journal of Epidemiology , vol.154 , Issue.1 , pp. 1-13
    • Kelada, S.N.1    Shelton, E.2    Kaufmann, R.B.3    Khoury, M.J.4
  • 28
    • 8844263008 scopus 로고    scopus 로고
    • Docking and scoring in virtual screening for drug discovery: Methods and applications
    • DOI 10.1038/nrd1549
    • Kitchen, D. B., Decornez, H., Furr, J. R., and Bajorath, J. 2004. Docking and scoring in virtual screening for drug discovery: Methods and applications. Nature 3: 935-49. (Pubitemid 39529931)
    • (2004) Nature Reviews Drug Discovery , vol.3 , Issue.11 , pp. 935-949
    • Kitchen, D.B.1    Decornez, H.2    Furr, J.R.3    Bajorath, J.4
  • 29
    • 0018072893 scopus 로고
    • Cellular and molecular toxicology of lead. II. Effect of lead on δ-aminolevulinic acid synthetase of cultured cells
    • Kusell, M., Lake, L., Andersson, M., and Gerschenson, L. E. 1978. Cellular and molecular toxicology of lead. II. Effect of lead on δ-aminolevulinic acid synthetase of cultured cells. J. Toxicol. Environ. Health 4: 515-25. (Pubitemid 9001471)
    • (1978) Journal of Toxicology and Environmental Health , vol.4 , Issue.4 , pp. 515-525
    • Kusell, M.1    Lake, L.2    Andersson, M.3    Gerschenson, L.E.4
  • 30
    • 84983719244 scopus 로고    scopus 로고
    • Inhibitory effect ofebselen on lactate dehydrogenase activity from mammals: A comparative study with diphenyl diselenide and diphenyl ditelluride
    • Lugokenski, T. H., Müller, L. G., Taube, P. S., Rocha, J. B., and Pereira, M. E. 2011. Inhibitory effect ofebselen on lactate dehydrogenase activity from mammals: A comparative study with diphenyl diselenide and diphenyl ditelluride. Drug Chem. Toxicol. 34: 66-76.
    • (2011) Drug Chem. Toxicol. , vol.34 , pp. 66-76
    • Lugokenski, T.H.1    Müller, L.G.2    Taube, P.S.3    Rocha, J.B.4    Pereira, M.E.5
  • 31
    • 79954826786 scopus 로고    scopus 로고
    • Insight into potential toxicity mechanisms of melamine: An in silico study
    • Ma, C., Kang, H., Liu, Q., Zhu, R., and Cao, Z. 2011. Insight into potential toxicity mechanisms of melamine: An in silico study. Toxicology 283: 96-100.
    • (2011) Toxicology , vol.283 , pp. 96-100
    • Ma, C.1    Kang, H.2    Liu, Q.3    Zhu, R.4    Cao, Z.5
  • 32
    • 0034573619 scopus 로고    scopus 로고
    • Diphenyl diselenide and diphenyl ditelluride differentially affect deltaaminolevulinate dehydratase from liver, kidney, and brain of mice
    • Maciel, E. N., Bolzan, R. C., Braga, A. L., and Rocha, J. B. 2000. Diphenyl diselenide and diphenyl ditelluride differentially affect deltaaminolevulinate dehydratase from liver, kidney, and brain of mice. J. Biochem. Mol. Toxicol. 14: 310-19.
    • (2000) J. Biochem. Mol. Toxicol. , vol.14 , pp. 310-319
    • MacIel, E.N.1    Bolzan, R.C.2    Braga, A.L.3    Rocha, J.B.4
  • 35
    • 84984580672 scopus 로고    scopus 로고
    • Toxicology and pharmacology of selenium: Emphasis on synthetic organoselenium compounds
    • Nogueira C. W., and Rocha, J. B. T. 2011. Toxicology and pharmacology of selenium: Emphasis on synthetic organoselenium compounds. Arch. Toxicol. 85: 1313-59.
    • (2011) Arch. Toxicol. , vol.85 , pp. 1313-1359
    • Nogueira, C.W.1    Rocha, J.B.T.2
  • 36
    • 0024522563 scopus 로고
    • Effects of perinatal treatment with lead and disulfiram on ALAD activity in blood, liver and kidney and urinary ALA excretion in rats
    • Oskarsson, A. 1989. Effects of perinatal treatment with lead and disulfiram on ALAD activity in blood, liver and kidney and urinary ALA excretion in rats. Pharmacol Toxicol. 64: 344-48. (Pubitemid 19096973)
    • (1989) Pharmacology and Toxicology , vol.64 , Issue.4 , pp. 344-348
    • Oskarsson, A.1
  • 37
    • 84984568135 scopus 로고    scopus 로고
    • Diphenyl diselenide induces apoptotic cell death and modulates ERK1/2 phosphorylation in human neuroblastoma SH-SY5Y cells
    • Posser, T., de Paula, M. T., Franco, J. L., Leal, R. B., and da Rocha, J. B. 2011. Diphenyl diselenide induces apoptotic cell death and modulates ERK1/2 phosphorylation in human neuroblastoma SH-SY5Y cells. Arch. Toxicol. 85: 645-51.
    • (2011) Arch. Toxicol. , vol.85 , pp. 645-651
    • Posser, T.1    De Paula, M.T.2    Franco, J.L.3    Leal, R.B.4    Da Rocha, J.B.5
  • 38
    • 84984582331 scopus 로고    scopus 로고
    • Mitochondrial dysfunction induced by different organochalchogens is mediated by thiol oxidation and is not dependent of the classical mitochondrial permeability transition pore opening
    • Puntel, R. L., Roos, D. H., Folmer, V.,Nogueira, C. W., Galina, A., Aschner, M., and Rocha, J. B. 2010. Mitochondrial dysfunction induced by different organochalchogens is mediated by thiol oxidation and is not dependent of the classical mitochondrial permeability transition pore opening. Toxicol. Sci. 117: 133-43.
    • (2010) Toxicol. Sci. , vol.117 , pp. 133-143
    • Puntel, R.L.1    Roos, D.H.2    Folmer, V.3    Nogueira, C.W.4    Galina, A.5    Aschner, M.6    Rocha, J.B.7
  • 39
    • 0042041206 scopus 로고
    • UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
    • Rappé, A. K., Casewit, C. J., Colwell, K. S., Goddard. W. A. III, and Skiff, W. M. 1992. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 114: 10024-39.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10039
    • Rappé, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard Iii, W.A.4    Skiff, W.M.5
  • 40
    • 84984537235 scopus 로고
    • Effects of methylmercury exposure during the second stage of rapid postnatal brain growth on negative geotaxis and on delta-aminolevulinate dehydratase of suckling rats
    • Rocha, J. B., Freitas, A. J., Marques, M. B., Pereira, M. E., Emanuelli, T., and Souza, D. O. 1993. Effects of methylmercury exposure during the second stage of rapid postnatal brain growth on negative geotaxis and on delta-aminolevulinate dehydratase of suckling rats. Braz. J. Med. Biol. Res. 26: 1077-83.
    • (1993) Braz. J. Med. Biol. Res. , vol.26 , pp. 1077-1083
    • Rocha, J.B.1    Freitas, A.J.2    Marques, M.B.3    Pereira, M.E.4    Emanuelli, T.5    Souza, D.O.6
  • 41
    • 38549171272 scopus 로고    scopus 로고
    • In silico-aided prediction of biological properties of chemicals: Oestrogen receptor-mediated effects
    • Roncaglioni, A., and Benfenati, E. 2008. In silico-aided prediction of biological properties of chemicals: Oestrogen receptor-mediated effects. Chem. Soc. Rev. 37: 441-50.
    • (2008) Chem. Soc. Rev. , vol.37 , pp. 441-450
    • Roncaglioni, A.1    Benfenati, E.2
  • 42
    • 0031006623 scopus 로고    scopus 로고
    • Effect of beryllium chloride on porphyrin metabolism in pregnant mice administered by subcutaneous injection
    • Sakaguchi, S., Sakaguchi, T., Nakamura, I., Aminaka, M., Tanaka T. and Kudo, Y. 1997. Effect of beryllium chloride on porphyrin metabolism in pregnant mice administered by subcutaneous injection. J. Toxicol. Environ. Health 50: 507-17.
    • (1997) J. Toxicol. Environ. Health , vol.50 , pp. 507-517
    • Sakaguchi, S.1    Sakaguchi, T.2    Nakamura, I.3    Aminaka, M.4    Tanaka, T.5    Kudo, Y.6
  • 43
    • 0020681875 scopus 로고
    • Hereditary tyrosinemia and the heme biosynthetic pathway. Profound inhibition of δ-aminolevulinic acid dehydratase activity by succinylacetone
    • Sassa, S., and Kappas, A. 1983. Hereditary tyrosinemia and the heme byosinthetic pathway. Profound inhibition of deltaaminolevulinic acid dehydratase activity by succinilacetone. J. Clin. Invest. 71: 625-34. (Pubitemid 13160810)
    • (1983) Journal of Clinical Investigation , vol.71 , Issue.3 , pp. 625-634
    • Sassa, S.1    Kappas, A.2
  • 44
    • 84984535996 scopus 로고    scopus 로고
    • Reduction of diphenyl diselenide and analogs by mammalian thioredoxin reductase is independent of their gluthathione peroxidaselike activity: A possible novel pathway for their antioxidant activity
    • Sausen de Freitas, A., de Souza Prestes, A., Wagner, C., Haigert Sudati, J., Alves, D., Oliveira Porciüncula, L., Kade, I. J., and Teixeira Rocha, J. B. 2010. Reduction of diphenyl diselenide and analogs by mammalian thioredoxin reductase is independent of their gluthathione peroxidaselike activity: A possible novel pathway for their antioxidant activity. Molecules 28: 7699-714.
    • (2010) Molecules , vol.28 , pp. 7699-7714
    • Sausen De Freitas, A.1    De Souza Prestes, A.2    Wagner, C.3    Haigert Sudati, J.4    Alves, D.5    Oliveira Porciüncula, L.6    Kade, I.J.7    Teixeira Rocha, J.B.8
  • 46
    • 77953325845 scopus 로고    scopus 로고
    • Ligand docking and binding site analysis with PyMOL and Autodock/Vina
    • Seeliger, D., and De Groot, B. L. 2010. Ligand docking and binding site analysis with PyMOL and Autodock/Vina. J. Computer Aided Mol. Des. 24: 417-22.
    • (2010) J. Computer Aided Mol. Des. , vol.24 , pp. 417-422
    • Seeliger, D.1    De Groot, B.L.2
  • 47
    • 84984590221 scopus 로고    scopus 로고
    • Organic and inorganic forms of selenium inhibited differently fish (Rhamdia quelen) and rat (Rattus norvergicus albinus) δ-aminolevulinate dehydratase
    • DOI 10.1016/j.envres.2004.07.011
    • Soares, F. A., Farina, M., Böettcher, A. C., Braga, A. L., and Rocha, J. B. T. 2005. Organic and inorganic forms of selenium inhibited differently fish (Rhamdia quelen) and rat (Rattus norvergicus albinus) δ-aminolevulinate dehydratase. Environ. Res. 98: 46-54. (Pubitemid 40254944)
    • (2005) Environmental Research , vol.98 , Issue.1 , pp. 46-54
    • Soares, F.A.1    Farina, M.2    Boettcher, A.C.3    Braga, A.L.4    Rocha, J.B.T.5
  • 50
    • 37549065671 scopus 로고    scopus 로고
    • Metabolic activation of a novel 3-substituted indole-containing TNF-alpha inhibitor: Dehydrogenation and inactivation of CYP3A4
    • Sun, H., and Yost, G. S. 2008. Metabolic activation of a novel 3-substituted indole-containing TNF-alpha inhibitor: Dehydrogenation and inactivation of CYP3A4. Chem. Res. Toxicol. 21: 374-85.
    • (2008) Chem. Res. Toxicol. , vol.21 , pp. 374-385
    • Sun, H.1    Yost, G.S.2
  • 52
    • 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., and Olson, A. J. 2010. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. J. Comput. Chem. 31: 455-61.
    • (2010) J. Comput. Chem. , vol.31 , pp. 455-461
    • Trott, O.1    Olson, A.J.2


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