-
1
-
-
0024339260
-
Selective Inhibitors of Dihydrofolate Reductase (Nobel Lecture)
-
Hitchings, A. H. Selective Inhibitors Of Dihydrofolate Reductase (Nobel Lecture). Angew. Chem., Int. Ed. 1989, 879-885.
-
(1989)
Angew. Chem., Int. Ed.
, pp. 879-885
-
-
Hitchings, A.H.1
-
2
-
-
0142003021
-
Inhibitors of Dihydrofolate Reductase
-
Perun, T. J., Propst, C. L., Eds.; Marcel Dekker: New York
-
Kuyper, L. F. Inhibitors of Dihydrofolate Reductase. In Computer Aided Drug Design. Methods and Applications; Perun, T. J., Propst, C. L., Eds.; Marcel Dekker: New York, 1989; pp 327-370.
-
(1989)
Computer Aided Drug Design. Methods and Applications
, pp. 327-370
-
-
Kuyper, L.F.1
-
3
-
-
0021740106
-
Structure Activity Relationships of Dihydrofolate Reductase Inhibitors
-
Blaney, J. M.; Mansch, C.; Silipo, C.; Vittoria, A. Structure Activity Relationships of Dihydrofolate Reductase Inhibitors. Chem. Rev. 1984, 84, 333-407.
-
(1984)
Chem. Rev.
, vol.84
, pp. 333-407
-
-
Blaney, J.M.1
Mansch, C.2
Silipo, C.3
Vittoria, A.4
-
4
-
-
0011554489
-
Comparative Quantitative Structure Activity Relationships of the Inhibition of Dihydrofolate Reductase
-
Devillers, J., Ed.; Taylor and Francis: Washington, DC, in press
-
Selassie, C. D.; Klein, T. E. Comparative Quantitative Structure Activity Relationships of the Inhibition of Dihydrofolate Reductase. In Comparative Quantitative Structure Activity Relationships; Devillers, J., Ed.; Taylor and Francis: Washington, DC, 1998; in press.
-
(1998)
Comparative Quantitative Structure Activity Relationships
-
-
Selassie, C.D.1
Klein, T.E.2
-
5
-
-
0024362678
-
On the Structure Selectivity Problem in Drug Design. A Comparative Study of Benzylpyrimidine Inhibition of Vertebrate and Bacterial Dihydrofolate Reductase via Molecular Graphics and Quantitative Structure Activity Relationships
-
Selassie, C. D.; Fang, Z. X.; Li, R. L.; Hansch, C.; Debnath, G.; Klein, T. E.; Langridge, R.; Kaufman, B. T. On the Structure Selectivity Problem in Drug Design. A Comparative Study of Benzylpyrimidine Inhibition of Vertebrate and Bacterial Dihydrofolate Reductase via Molecular Graphics and Quantitative Structure Activity Relationships. J. Med. Chem. 1989, 32, 1895-1905.
-
(1989)
J. Med. Chem.
, vol.32
, pp. 1895-1905
-
-
Selassie, C.D.1
Fang, Z.X.2
Li, R.L.3
Hansch, C.4
Debnath, G.5
Klein, T.E.6
Langridge, R.7
Kaufman, B.T.8
-
6
-
-
0003476917
-
Building Bridges: QSAR and Molecular Graphics
-
Kubinyi, H., Ed.; Escom Science Publishers: Leiden
-
Selassie, C. D.; Klein, T. E. Building Bridges: QSAR and Molecular Graphics. In 3D Drug Design: Theory, Methods and Applications; Kubinyi, H., Ed.; Escom Science Publishers: Leiden, 1993; pp 256-275.
-
(1993)
3D Drug Design: Theory, Methods and Applications
, pp. 256-275
-
-
Selassie, C.D.1
Klein, T.E.2
-
7
-
-
0022519388
-
13C-enriched Trimethoprim
-
13C-enriched Trimethoprim. Biochemistry 1986, 25, 1925-1931.
-
(1986)
Biochemistry
, vol.25
, pp. 1925-1931
-
-
Cheung, H.T.A.1
Searle, M.S.2
Feeney, J.3
Birdsall, B.4
Roberts, G.C.K.5
Kompis, I.6
Hammond, S.J.7
-
8
-
-
0017879555
-
Quantitative Structure Activity Relationships. VI. Nonlinear Dependence of Biological Activity on Hydrophobic Character: Calculation Procedures for the Bilinear Model
-
Kubinyi, H.; Kehrhahn, O. Quantitative Structure Activity Relationships. VI. Nonlinear Dependence of Biological Activity on Hydrophobic Character: Calculation Procedures for the Bilinear Model. Arzneim-Forsch. (Drug Res.) 1978, 28, 598-601.
-
(1978)
Arzneim-Forsch. (Drug Res.)
, vol.28
, pp. 598-601
-
-
Kubinyi, H.1
Kehrhahn, O.2
-
9
-
-
0025959832
-
On the Optimization of Hydrophobic and Hydrophilic Substituent Interactions of 2,4-diamino-5-(substituted benzyl) Pyrimidines with Dihydrofolate Reductase
-
Selassie, C. D.; Li, R. L.; Poe, M.; Hansch, C. On the Optimization of Hydrophobic and Hydrophilic Substituent Interactions of 2,4-diamino-5-(substituted benzyl) Pyrimidines with Dihydrofolate Reductase. J. Med. Chem. 1991, 34, 46-54.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 46-54
-
-
Selassie, C.D.1
Li, R.L.2
Poe, M.3
Hansch, C.4
-
10
-
-
0023662412
-
The Structure of Mouse L1210 Dihydrofolate Reductase-Drug Complexes and the Construction of a Model of Human Enzyme
-
Stammers, D. K.; Champness, J. N.; Beddell, C. R.; Dann, J. G.; Eliopoulos, E.; Geddes, A. J.; Ogg, D.; North, A. C. T. The Structure of Mouse L1210 Dihydrofolate Reductase-Drug Complexes and the Construction of a Model of Human Enzyme. FEES Lett. 1987, 218, 178-184.
-
(1987)
FEES Lett.
, vol.218
, pp. 178-184
-
-
Stammers, D.K.1
Champness, J.N.2
Beddell, C.R.3
Dann, J.G.4
Eliopoulos, E.5
Geddes, A.J.6
Ogg, D.7
North, A.C.T.8
-
11
-
-
0020478684
-
Crystal Structure of Avian Dihydrofolate Reductnse Containing Phenyltriazine and NAD-PH
-
Volz, K. W.; Matthews, D. A.; Alden, R. A.; Freer, S. T.; Mansch, C.; Kaufman, B. T.; Kraut, J. Crystal Structure of Avian Dihydrofolate Reductnse Containing Phenyltriazine and NAD-PH. J. Biol. Chem. 1982, 257, 2528-2536.
-
(1982)
J. Biol. Chem.
, vol.257
, pp. 2528-2536
-
-
Volz, K.W.1
Matthews, D.A.2
Alden, R.A.3
Freer, S.T.4
Mansch, C.5
Kaufman, B.T.6
Kraut, J.7
-
12
-
-
14444278026
-
Steric Effects on Organic Reactions
-
Heller, S. R., Ed.; American Chemical Society: Washington, DC
-
Hansen, C.; Leo, A. Steric Effects on Organic Reactions. In Exploring QSAR; Fundamentals and Applications in Chemistry and Biology; Heller, S. R., Ed.; American Chemical Society: Washington, DC, 1995; p 76.
-
(1995)
Exploring QSAR; Fundamentals and Applications in Chemistry and Biology
, pp. 76
-
-
Hansen, C.1
Leo, A.2
-
13
-
-
0020560372
-
2,4-Diamino-5-benzylpyrimidines and Analogues as Antibacterial Agents. 6. A One Step Synthesis of New Trimethoprim Derivatives and Activity Analysis by Molecular Modeling
-
Stuart, A.; Paterson, T.; Roth, B; Aig, E. 2,4-Diamino-5-benzylpyrimidines and Analogues as Antibacterial Agents. 6. A One Step Synthesis of New Trimethoprim Derivatives and Activity Analysis by Molecular Modeling. J. Med. Chem. 1983, 26, 607-673.
-
(1983)
J. Med. Chem.
, vol.26
, pp. 607-673
-
-
Stuart, A.1
Paterson, T.2
Roth, B.3
Aig, E.4
-
14
-
-
0025266340
-
Protein-Drug Interactions; Characterization of Inhibitor Binding in Complexes of DHFR with Trimethoprim and Related Derivatives
-
Fleischman, S. H.; Brooks, C. L., III. Protein-Drug Interactions; Characterization of Inhibitor Binding in Complexes of DHFR with Trimethoprim and Related Derivatives. Proteins 1990, 7, 52-61.
-
(1990)
Proteins
, vol.7
, pp. 52-61
-
-
Fleischman, S.H.1
Brooks III, C.L.2
-
15
-
-
0025907618
-
Theoretical Approach to Drug Design. 2. Relative Thermodynamics of Inhibitor Binding by Chicken Dihydrofolate Reductase to Ethyl Derivatives of Trimethoprim Substituted at 3′-, 4′-, and 4′-postions
-
Mcdonald, J. J.; Brooks, C. L., III. Theoretical Approach to Drug Design. 2. Relative Thermodynamics of Inhibitor Binding by Chicken Dihydrofolate Reductase to Ethyl Derivatives of Trimethoprim Substituted at 3′-, 4′-, and 4′-postions. J. Am. Chem. Soc. 1991, 113, 2295-2301.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2295-2301
-
-
Mcdonald, J.J.1
Brooks III, C.L.2
-
16
-
-
84990648105
-
A Comparison by QSAR, Crystallography and Computer Graphics of the Inhibition of Various Dihydrofolate Reductases by 5-(X-Benzyl)-2,4-diamino Pyrimidines
-
Li, R. L.; Hansch, C.; Matthews, D.; Blaney, J. M.; Langridge, R.; Delcamp, T. J.; Susten, S. S.; Freisheim, J. H. A Comparison by QSAR, Crystallography and Computer Graphics of the Inhibition of Various Dihydrofolate Reductases by 5-(X-Benzyl)-2,4-diamino Pyrimidines. Quant. Struct. Act. Relat. 1982, 1, 1-7.
-
(1982)
Quant. Struct. Act. Relat.
, vol.1
, pp. 1-7
-
-
Li, R.L.1
Hansch, C.2
Matthews, D.3
Blaney, J.M.4
Langridge, R.5
Delcamp, T.J.6
Susten, S.S.7
Freisheim, J.H.8
-
17
-
-
0029633186
-
AMBER, A Package of Computer Programs for Applying Molecular Mechanics, Molecular Dynamics and Free Energy Calculations to Simulate the Structural and Energetic Properties of Molecules
-
Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. S.; Cheatham, T. C.; Debolt, S. E.; Ferguson, D. M.; Siebel, G. L.; Kollman, P. A. AMBER, A Package of Computer Programs for Applying Molecular Mechanics, Molecular Dynamics and Free Energy Calculations to Simulate the Structural and Energetic Properties of Molecules. Computer Phys. Commun. 1995, 91, 1-41.
-
(1995)
Computer Phys. Commun.
, vol.91
, pp. 1-41
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham, T.C.5
Debolt, S.E.6
Ferguson, D.M.7
Siebel, G.L.8
Kollman, P.A.9
-
19
-
-
0021915972
-
Refined Structures of E. coli and Chicken Liver DHFR Containing Bound Trimethoprim
-
Matthews, D. A.; Bolin, J. T.; Burridge, J. M.; Filman, D. J.; Volz, K. W.; Kaufman, B. T.; Beddell, C. R.; Champness, J. N.; Stammers, D. K.; Kraut, J. Refined Structures of E. coli and Chicken Liver DHFR Containing Bound Trimethoprim. J. Biol. Chem. 1985, 260, 381-391.
-
(1985)
J. Biol. Chem.
, vol.260
, pp. 381-391
-
-
Matthews, D.A.1
Bolin, J.T.2
Burridge, J.M.3
Filman, D.J.4
Volz, K.W.5
Kaufman, B.T.6
Beddell, C.R.7
Champness, J.N.8
Stammers, D.K.9
Kraut, J.10
-
20
-
-
0025308955
-
NMR Studies of Interactions of Ligands with Dihydrofolate Reductase
-
Feeney, J. NMR Studies of Interactions of Ligands with Dihydrofolate Reductase. Biochem. Pharmacol. 1990, 40, 141-152.
-
(1990)
Biochem. Pharmacol.
, vol.40
, pp. 141-152
-
-
Feeney, J.1
-
21
-
-
0040273718
-
Dynamics of Trimethoprim Bond to Dihydrofolate Reductase
-
Searle, M. S.; Forster, M. J.; Birdsall, B.; Roberts, G. C. K.; Feeney, J.; Cheng, H. T. A.; Kompis, I.; Geddes, A. J. Dynamics of Trimethoprim Bond to Dihydrofolate Reductase. Proc. Natl. Acad. Sci. U.S.A. 1988, 85, 3787-3791.
-
(1988)
Proc. Natl. Acad. Sci. U.S.A.
, vol.85
, pp. 3787-3791
-
-
Searle, M.S.1
Forster, M.J.2
Birdsall, B.3
Roberts, G.C.K.4
Feeney, J.5
Cheng, H.T.A.6
Kompis, I.7
Geddes, A.J.8
-
22
-
-
0026100896
-
Mobility of the Spin-Labeled Side Chains of Some Novel Antifolate Inhibitors in their Complexes with Dihydrofolate Reductase
-
Blakely, R. L.; Piper, J. R.; Mahorag, G.; Appleman, J. R.; Delcamp, T. J.; Freisheim, J. H.; Kulinski, R. F.; Montgomery, J. Mobility of the Spin-Labeled Side Chains of Some Novel Antifolate Inhibitors in their Complexes with Dihydrofolate Reductase. Eur. J. Biochem. 1991, 196, 271-280.
-
(1991)
Eur. J. Biochem.
, vol.196
, pp. 271-280
-
-
Blakely, R.L.1
Piper, J.R.2
Mahorag, G.3
Appleman, J.R.4
Delcamp, T.J.5
Freisheim, J.H.6
Kulinski, R.F.7
Montgomery, J.8
-
23
-
-
84910575993
-
The Three-Dimensional Structure of Mouse L1210 Dihydrofolate Reductase
-
Blair, J. A., Ed.; Walter de Gruyter: New York
-
Stammers, D. K.; Champness, J. N.; Dann, J. G.; Beddell, C. R. The Three-Dimensional Structure of Mouse L1210 Dihydrofolate Reductase. In Chemistry and Biology of Pteridines; Blair, J. A., Ed.; Walter de Gruyter: New York, 1983; pp 567-57.
-
(1983)
Chemistry and Biology of Pteridines
, pp. 567-657
-
-
Stammers, D.K.1
Champness, J.N.2
Dann, J.G.3
Beddell, C.R.4
-
24
-
-
0017281891
-
The Crystal and Molecular Structure of the Antifolate Drug Trimethoprim (2,4-diamino-5-(3,4,5-Trimethoxybenzyl) Pyrimidine). A Neutron Diffraction Study
-
Koetzle, T. F.; Williams, G. J. B. The Crystal and Molecular Structure of the Antifolate Drug Trimethoprim (2,4-diamino-5-(3,4,5-Trimethoxybenzyl) Pyrimidine). A Neutron Diffraction Study. J. Am. Chem. Soc. 1976, 98, 2074-2078.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 2074-2078
-
-
Koetzle, T.F.1
Williams, G.J.B.2
-
25
-
-
0020620103
-
Tetramethoprim and Pentamethoprim: Synthesis Antibacterial Properties and X-ray Structures
-
Brossi, A.; Sharma, P. N.; Takahashi, K.; Chiang, J. F.; Karle, I. L.; Seibert, G. Tetramethoprim and Pentamethoprim: Synthesis Antibacterial Properties and X-ray Structures. Helv. Chim. Acta 1983, 66, 795-800.
-
(1983)
Helv. Chim. Acta
, vol.66
, pp. 795-800
-
-
Brossi, A.1
Sharma, P.N.2
Takahashi, K.3
Chiang, J.F.4
Karle, I.L.5
Seibert, G.6
-
26
-
-
0023123973
-
2,4-Diamino-5-benzylpyrimidines as Antibacterial Agents. 7. Analysis of the Effect of 3,5-dialkyl Substituent Size and Shape on Binding to Four Different Dihydrofolate Reductase Enzymes
-
Roth, B.; Rauckman, B. S.; Ferone, R.; Baccanari, D. P.; Champness, J. N.; Hyde, R. M. 2,4-Diamino-5-benzylpyrimidines as Antibacterial Agents. 7. Analysis of the Effect of 3,5-dialkyl Substituent Size And Shape On Binding to Four Different Dihydrofolate Reductase Enzymes. J. Med. Chem. 1987, 30, 348-356.
-
(1987)
J. Med. Chem.
, vol.30
, pp. 348-356
-
-
Roth, B.1
Rauckman, B.S.2
Ferone, R.3
Baccanari, D.P.4
Champness, J.N.5
Hyde, R.M.6
-
27
-
-
0025975879
-
2,4-Diamino-5-benzylpyrimidines as Antibacterial Agents. 14. 2,3-Dihydro-1-(2,4-diamino-5-pyrimidyl)-1H-Indenes as Conformationally Restricted Analogues of Trimethoprim
-
Chan, J. H.; Roth, B. 2,4-Diamino-5-benzylpyrimidines as Antibacterial Agents. 14. 2,3-Dihydro-1-(2,4-diamino-5-pyrimidyl)-1H-Indenes as Conformationally Restricted Analogues of Trimethoprim. J. Med. Chem. 1991, 34, 550-555.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 550-555
-
-
Chan, J.H.1
Roth, B.2
-
29
-
-
14444276968
-
Understanding the Specificity of the Dihydrofolate Reductase Binding Site
-
Roberts, G. C. K. Understanding the Specificity of the Dihydrofolate Reductase Binding Site. NATO ASI Ser., Ser. A 1989, 183, 209-220.
-
(1989)
NATO ASI Ser., Ser. A
, vol.183
, pp. 209-220
-
-
Roberts, G.C.K.1
-
30
-
-
0003955925
-
Hammett Sigmas
-
Heller, S. R., Ed.; American Chemical Society: Washington, DC
-
Hansch, C.; Leo, A.; Hoekman, D. Hammett Sigmas, In Exploring QSAR: Hydrophobic, Electronic and Steric Constants; Heller, S. R., Ed.; American Chemical Society: Washington, DC, 1995; pp 217-304.
-
(1995)
Exploring QSAR: Hydrophobic, Electronic and Steric Constants
, pp. 217-304
-
-
Hansch, C.1
Leo, A.2
Hoekman, D.3
-
31
-
-
0019276088
-
Quantitative Structure Selectivity Relationships. Comparison of the Inhibition of Escherichia coli and Bovine Liver Dihydrofolate Reductase by 5-(substitutedbenzyl)-2,4-diamino Pyrimidines
-
Dietrich, S. W.; Blaney, J. M.; Reynolds, M. A.; Jow, P. Y. C.; Hansch, C. Quantitative Structure Selectivity Relationships. Comparison of the Inhibition of Escherichia coli and Bovine Liver Dihydrofolate Reductase by 5-(substitutedbenzyl)-2,4-diamino Pyrimidines. J. Med. Chem. 1980, 23, 1205-1212.
-
(1980)
J. Med. Chem.
, vol.23
, pp. 1205-1212
-
-
Dietrich, S.W.1
Blaney, J.M.2
Reynolds, M.A.3
Jow, P.Y.C.4
Hansch, C.5
-
32
-
-
0000300447
-
A New Synthesis of 5-benzyl Pyrimidines
-
Stenbuck, P.; Baltzly, R.; Hood, H. M. A New Synthesis of 5-benzyl Pyrimidines. J. Org. Chem. 1963, 28, 1983-1988.
-
(1963)
J. Org. Chem.
, vol.28
, pp. 1983-1988
-
-
Stenbuck, P.1
Baltzly, R.2
Hood, H.M.3
-
33
-
-
0013378235
-
The Effect of Halogen Substituents Upon the Rates of Electrophilic Reactions
-
Brown, H. C.; Okamoto, Y.; Ham, G. The Effect of Halogen Substituents Upon the Rates of Electrophilic Reactions. J. Am. Chem. Soc. 1957, 79, 1906-1909.
-
(1957)
J. Am. Chem. Soc.
, vol.79
, pp. 1906-1909
-
-
Brown, H.C.1
Okamoto, Y.2
Ham, G.3
-
34
-
-
0003824559
-
-
John Wiley & Sons: New York
-
The Systematic Identification of Organic Compounds. A Laboratory Manual, 6th ed.; Shriner, R. L., Fuson, R. C., Curtin, D. Y., Morrill, T. C., Eds.; John Wiley & Sons: New York, 1980; p 538.
-
(1980)
The Systematic Identification of Organic Compounds. a Laboratory Manual, 6th Ed.
, pp. 538
-
-
Shriner, R.L.1
Fuson, R.C.2
Curtin, D.Y.3
Morrill, T.C.4
-
35
-
-
14444284769
-
-
U.S. Patent 4,258,405, 1981
-
Poe, M.; Ruyle, W. V. Inhibitor of Dihydrofolate Reductase. U.S. Patent 4,258,405, 1981.
-
Inhibitor of Dihydrofolate Reductase
-
-
Poe, M.1
Ruyle, W.V.2
-
36
-
-
0013395812
-
Hydrazine Derivatives. I. Benzalthio and Bisbenzaldithio-Salicyl Hydrazides
-
Katz, L.; Karger, L.; Schroeder, W.; Cohen, M. Hydrazine Derivatives. I. Benzalthio and Bisbenzaldithio-Salicyl Hydrazides. J. Org. Chem. 1953, 18, 1380-1402.
-
(1953)
J. Org. Chem.
, vol.18
, pp. 1380-1402
-
-
Katz, L.1
Karger, L.2
Schroeder, W.3
Cohen, M.4
-
37
-
-
84982340788
-
The Preparation and Evaluation of Some Phenolic Ethers as Antifungal Agents
-
Coates, L. V.; Drain, D. J.; McCrae, F. J. The Preparation and Evaluation of Some Phenolic Ethers as Antifungal Agents. J. Pharm. Pharmacol. 1959, 11, 240T-249T.
-
(1959)
J. Pharm. Pharmacol.
, vol.11
-
-
Coates, L.V.1
Drain, D.J.2
McCrae, F.J.3
-
38
-
-
14444280842
-
Ethers with an Allylic Double Bond. VII. Allyl Ether of Salicyladehyde in the Grignard Reaction
-
Pansevich-Kolyada, V. I.; Strel'tsov, A. E. Ethers with an Allylic Double Bond. VII. Allyl Ether of Salicyladehyde in the Grignard Reaction. Zh. Obshchei. Khim. 1960, 30, 3261-3263.
-
(1960)
Zh. Obshchei. Khim.
, vol.30
, pp. 3261-3263
-
-
Pansevich-Kolyada, V.I.1
Strel'tsov, A.E.2
|