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Volumn 29, Issue 1, 1997, Pages 59-67

Specificity in structure-based drug design: Identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase

Author keywords

Antifungal; DOCK; Lead discovery; Molecular docking; Species specificity

Indexed keywords

DIHYDROFOLATE REDUCTASE INHIBITOR;

EID: 0030964552     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0134(199709)29:1<59::AID-PROT4>3.0.CO;2-A     Document Type: Article
Times cited : (54)

References (40)
  • 3
    • 84986432941 scopus 로고
    • Automated docking with grid-based energy evaluation
    • Meng, B.C., Shoichet, B.K., Kuntz, I.D. Automated docking with grid-based energy evaluation. J. Comp. Chem. 13:505-524, 1992.
    • (1992) J. Comp. Chem. , vol.13 , pp. 505-524
    • Meng, B.C.1    Shoichet, B.K.2    Kuntz, I.D.3
  • 4
    • 0026730489 scopus 로고
    • Structure-based strategies for drug design and discovery
    • Kuntz, I.D. Structure-based strategies for drug design and discovery. Science 257:1078-1082, 1992.
    • (1992) Science , vol.257 , pp. 1078-1082
    • Kuntz, I.D.1
  • 5
    • 1842305092 scopus 로고
    • Doctoral thesis, University of California, San Francisco
    • Bodian, D. Doctoral thesis, University of California, San Francisco, 1992.
    • (1992)
    • Bodian, D.1
  • 6
    • 0001883597 scopus 로고
    • Dihydrofolate reductase
    • Jurnak, F., McPherson, A. (eds.). New York: Wiley-Interscience
    • Kraut, J., Matthews, D.A. Dihydrofolate reductase. In: "Biological Macromolecules and Assemblies," Vol. 3. Jurnak, F., McPherson, A. (eds.). New York: Wiley-Interscience, 1984:1-71.
    • (1984) Biological Macromolecules and Assemblies , vol.3 , pp. 1-71
    • Kraut, J.1    Matthews, D.A.2
  • 7
    • 1842314641 scopus 로고
    • Dihydrofolate reductase
    • Kuby, S.A. (ed.) Boston: CRC Press
    • Morrison, J.F. Dihydrofolate reductase. In: "A Study of Enzymes," Vol. 2. Kuby, S.A. (ed.) Boston: CRC Press, 1991:193-226.
    • (1991) A Study of Enzymes , vol.2 , pp. 193-226
    • Morrison, J.F.1
  • 8
    • 0021740106 scopus 로고
    • Structure-activity relationships of dihydrofolate reductase inhibitors
    • Blaney, J.M., Hansch, C., Silipo, C., Vittoria, A. Structure-activity relationships of dihydrofolate reductase inhibitors. Chem. Rev. 84:333-407, 1984.
    • (1984) Chem. Rev. , vol.84 , pp. 333-407
    • Blaney, J.M.1    Hansch, C.2    Silipo, C.3    Vittoria, A.4
  • 9
    • 0025361947 scopus 로고
    • Dihydrofolate reductase as a therapeutic target
    • Schweitzer, B.I., Dicker, A.P., Bertino, J.R. Dihydrofolate reductase as a therapeutic target. FASEB J. 4:2441-2452, 1990.
    • (1990) FASEB J. , vol.4 , pp. 2441-2452
    • Schweitzer, B.I.1    Dicker, A.P.2    Bertino, J.R.3
  • 10
    • 0025337442 scopus 로고
    • Pulmonary infectious complications of human immunodeficiency virus infection. Part II
    • Murray, J.F., Mills, J. Pulmonary infectious complications of human immunodeficiency virus infection. Part II. Am. Rev. Respir. Dis. 141:1582-1598, 1990.
    • (1990) Am. Rev. Respir. Dis. , vol.141 , pp. 1582-1598
    • Murray, J.F.1    Mills, J.2
  • 11
    • 0025367398 scopus 로고
    • AIDS-related infections
    • Mills, J., Masur, H. AIDS-related infections. Sci. Am. 263:50-57, 1990.
    • (1990) Sci. Am. , vol.263 , pp. 50-57
    • Mills, J.1    Masur, H.2
  • 12
    • 0023222307 scopus 로고
    • Activity of antifolates against Pneumocystis carinii dihydrofolate reductase and identification of a potent new agent
    • Allegra, C.J., Kovacs, J.A., Drake, J.C., Swan, J.C., Chabner, B.A., Masur, H. Activity of antifolates against Pneumocystis carinii dihydrofolate reductase and identification of a potent new agent. J. Exp. Med. 165:926-931, 1987.
    • (1987) J. Exp. Med. , vol.165 , pp. 926-931
    • Allegra, C.J.1    Kovacs, J.A.2    Drake, J.C.3    Swan, J.C.4    Chabner, B.A.5    Masur, H.6
  • 13
    • 0024375123 scopus 로고
    • Characterization of de novo folate synthesis of Pneumocystis carinii and Toxoplasma gondii: Potential for screening therapeutic agents
    • Kovacs, J.A., Allegra, C.J., Beaver, J., Boarman, D., Lewis, M., Parrillo, J.E., Chabner, B., Masur, H. Characterization of de novo folate synthesis of Pneumocystis carinii and Toxoplasma gondii: Potential for screening therapeutic agents. J. Infect. Dis. 160:312-320, 1989.
    • (1989) J. Infect. Dis. , vol.160 , pp. 312-320
    • Kovacs, J.A.1    Allegra, C.J.2    Beaver, J.3    Boarman, D.4    Lewis, M.5    Parrillo, J.E.6    Chabner, B.7    Masur, H.8
  • 14
    • 0027202812 scopus 로고
    • Dihydrofolate reductase from the pathogenic fungus Pneumocystis carinii: Catalytic properties and interaction with antifolates
    • Margosiak, S.A., Appleman, J.R., Santi, D.V., Blakley, R.L. Dihydrofolate reductase from the pathogenic fungus Pneumocystis carinii: Catalytic properties and interaction with antifolates. Arch. Biochem. Biophys. 305:499-508, 1993.
    • (1993) Arch. Biochem. Biophys. , vol.305 , pp. 499-508
    • Margosiak, S.A.1    Appleman, J.R.2    Santi, D.V.3    Blakley, R.L.4
  • 16
    • 0026249747 scopus 로고
    • Inhibition of topoisomerases from Pneumocystis carinii by aromatic dicationic molecules
    • Dykstra, C.C., Tidwell, R.R. Inhibition of topoisomerases from Pneumocystis carinii by aromatic dicationic molecules. J. Protozool. 38:78S-81S, 1991.
    • (1991) J. Protozool. , vol.38
    • Dykstra, C.C.1    Tidwell, R.R.2
  • 17
    • 0028245788 scopus 로고
    • Prophylaxis for opportunistic infections in patients with HFV infection
    • Gallant, J.E., Moore, R.D., Chaisson, R.E. Prophylaxis for opportunistic infections in patients with HFV infection. Ann. Intern. Med. 120:932-944, 1994.
    • (1994) Ann. Intern. Med. , vol.120 , pp. 932-944
    • Gallant, J.E.1    Moore, R.D.2    Chaisson, R.E.3
  • 21
    • 0025037428 scopus 로고
    • Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate
    • Davies, J.F., Delcamp, T.J., Prendergast, N.J., Ashford, V.A., Freisheim, J.H., Kraut, J. Crystal structures of recombinant human dihydrofolate reductase complexed with folate and 5-deazafolate. Biochemistry 29:9467-9479, 1990.
    • (1990) Biochemistry , vol.29 , pp. 9467-9479
    • Davies, J.F.1    Delcamp, T.J.2    Prendergast, N.J.3    Ashford, V.A.4    Freisheim, J.H.5    Kraut, J.6
  • 22
    • 0000899457 scopus 로고
    • Dihydrofolate Reductase
    • Blakley, R.L., Benkovic, S.J. (eds.) New York: Wiley-Interscience
    • Blakley, R.L. Dihydrofolate Reductase. In: "Folates and Pterins: Chemistry and Biochemistry of Folates," Vol. 1. Blakley, R.L., Benkovic, S.J. (eds.) New York: Wiley-Interscience, 1984:191-253.
    • (1984) Folates and Pterins: Chemistry and Biochemistry of Folates , vol.1 , pp. 191-253
    • Blakley, R.L.1
  • 25
    • 0023936327 scopus 로고
    • Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure
    • DesJarlais, R., Sheridan, R.P., Seibel, G.L., Dixon, J.S., Kuntz, I.D., Venkataraghavan, R. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure. J. Med. Chem. 31:722-729, 1988.
    • (1988) J. Med. Chem. , vol.31 , pp. 722-729
    • DesJarlais, R.1    Sheridan, R.P.2    Seibel, G.L.3    Dixon, J.S.4    Kuntz, I.D.5    Venkataraghavan, R.6
  • 26
    • 0000538815 scopus 로고
    • Analytical molecular surface calculation
    • Connolly, M.L. Analytical molecular surface calculation. J. Appl. Crystallgr. 16:548-558, 1983; Connolly, M.L. Solvent-accessible surfaces of proteins and nucleic acids. Science 221:709-713, 1983.
    • (1983) J. Appl. Crystallgr. , vol.16 , pp. 548-558
    • Connolly, M.L.1
  • 27
    • 0021107965 scopus 로고
    • Solvent-accessible surfaces of proteins and nucleic acids
    • Connolly, M.L. Analytical molecular surface calculation. J. Appl. Crystallgr. 16:548-558, 1983; Connolly, M.L. Solvent-accessible surfaces of proteins and nucleic acids. Science 221:709-713, 1983.
    • (1983) Science , vol.221 , pp. 709-713
    • Connolly, M.L.1
  • 28
    • 0027379219 scopus 로고
    • Orientational sampling and rigid-body minimization in molecular docking
    • Meng, E.C., Gschwend, D.A., Blaney, J.M., Kuntz, I.D. Orientational sampling and rigid-body minimization in molecular docking. Proteins 17:266-278, 1993.
    • (1993) Proteins , vol.17 , pp. 266-278
    • Meng, E.C.1    Gschwend, D.A.2    Blaney, J.M.3    Kuntz, I.D.4
  • 30
    • 0014151463 scopus 로고
    • Effect of substrate decomposition on the spectrophotometric assay of dihydrofolate reductase
    • Hillcoat, B.L., Nixon, P.F., Blakley, R.L. Effect of substrate decomposition on the spectrophotometric assay of dihydrofolate reductase. J. Med. Chem. 21:178-189, 1967.
    • (1967) J. Med. Chem. , vol.21 , pp. 178-189
    • Hillcoat, B.L.1    Nixon, P.F.2    Blakley, R.L.3
  • 31
    • 0026236239 scopus 로고
    • Purification and properties of recombinant Pneumocystis carinii dihydrofolate reductase
    • Sirawaraporn, W.S., Edman, J.C., Santi, D.V. Purification and properties of recombinant Pneumocystis carinii dihydrofolate reductase. Protein Expr. Purif. 2:313-316, 1991.
    • (1991) Protein Expr. Purif. , vol.2 , pp. 313-316
    • Sirawaraporn, W.S.1    Edman, J.C.2    Santi, D.V.3
  • 33
    • 0030120054 scopus 로고    scopus 로고
    • Orientational sampling and rigid-body minimization in molecular docking, revisited: On-the-fly optimization and degeneracy removal
    • Gschwend, D.A., Kuntz, I.D. Orientational sampling and rigid-body minimization in molecular docking, revisited: On-the-fly optimization and degeneracy removal. J. Comput.-Aided Mol. Design 10:123-132, 1996.
    • (1996) J. Comput.-Aided Mol. Design , vol.10 , pp. 123-132
    • Gschwend, D.A.1    Kuntz, I.D.2
  • 35
    • 0027522358 scopus 로고
    • Structure-based discovery of inhibitors of thymidylate synthase
    • Shoichet, B.K., Stroud, R.M., Santi, D.V., Kuntz, I.D., Perry, K.M. Structure-based discovery of inhibitors of thymidylate synthase. Science 259:1445-1450, 1993.
    • (1993) Science , vol.259 , pp. 1445-1450
    • Shoichet, B.K.1    Stroud, R.M.2    Santi, D.V.3    Kuntz, I.D.4    Perry, K.M.5
  • 37
    • 0025823355 scopus 로고
    • Isothiazolone biocides: Enzyme-inhibiting pro-drugs
    • Collier, P.J., Austin, P., Gilbert, P. Isothiazolone biocides: Enzyme-inhibiting pro-drugs. Int. J. Pharmaceutics 74:195-201, 1991.
    • (1991) Int. J. Pharmaceutics , vol.74 , pp. 195-201
    • Collier, P.J.1    Austin, P.2    Gilbert, P.3
  • 39
    • 0017821457 scopus 로고
    • Interaction of Cibacron Blue 3G-A and related dyes with nucleotide-requiring enzymes
    • Beissner, R.S., Rudolph, F.B. Interaction of Cibacron Blue 3G-A and related dyes with nucleotide-requiring enzymes. Arch. Biochem. Biophys. 189:76-80, 1978.
    • (1978) Arch. Biochem. Biophys. , vol.189 , pp. 76-80
    • Beissner, R.S.1    Rudolph, F.B.2
  • 40
    • 0018700742 scopus 로고
    • Interaction of dihydrofolate reductase from amethopterin-resistant Lactobacillus casei with Cibacron blue, Blue Dextran, and Affi-Gel Blue
    • Chambers, B.B., Dunlap, R.B. Interaction of dihydrofolate reductase from amethopterin-resistant Lactobacillus casei with Cibacron blue, Blue Dextran, and Affi-Gel Blue. J. Biol. Chem. 254:6515-6521, 1979.
    • (1979) J. Biol. Chem. , vol.254 , pp. 6515-6521
    • Chambers, B.B.1    Dunlap, R.B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.