-
1
-
-
0024554934
-
Strategies in Drug Design Based on 3D-Structures of Ligands
-
Fauchere, J. L., Ed.; Alan R. Liss: New York
-
Martin, Y. C.; Danaher, E. B.; May, C. S.; Weininger, D.; Van Drie, J. H. Strategies in Drug Design Based on 3D-Structures of Ligands. In QSAR: Quantitative Structure-Activity Relationships in Drug Design; Fauchere, J. L., Ed.; Alan R. Liss: New York, 1989; pp 177-181.
-
(1989)
QSAR: Quantitative Structure-Activity Relationships in Drug Design
, pp. 177-181
-
-
Martin, Y.C.1
Danaher, E.B.2
May, C.S.3
Weininger, D.4
Van Drie, J.H.5
-
2
-
-
0000460468
-
The Conformational Parameter in Drug Design; the Active Analog Approach
-
Computer-Assisted Drug Design; Olsen, E. C., Christoffersen, R. E., Eds.; American Chemical Society: Washington, DC
-
Marshall, G. R.; Barry, C. D.; Bosshard, H. E.; Dammkoehler, R. A.; Dunn, D. A. The Conformational Parameter in Drug Design; The Active Analog Approach. In Computer-Assisted Drug Design; Olsen, E. C., Christoffersen, R. E., Eds.; ACS Symposium Series No. 112; American Chemical Society: Washington, DC, 1979; pp 205-226.
-
(1979)
ACS Symposium Series No. 112
, pp. 205-226
-
-
Marshall, G.R.1
Barry, C.D.2
Bosshard, H.E.3
Dammkoehler, R.A.4
Dunn, D.A.5
-
3
-
-
0026356149
-
Overview of Concepts and Methods in Computer-Assisted Rational Drug Design
-
Martin, Y. C. Overview of Concepts and Methods in Computer-Assisted Rational Drug Design. Methods Enzymol. 1991, 203, 587-613.
-
(1991)
Methods Enzymol.
, vol.203
, pp. 587-613
-
-
Martin, Y.C.1
-
4
-
-
0023751431
-
Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins
-
Cramer, R. D. III; Patterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer III, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
5
-
-
85050545298
-
Successes of Computer-Assisted Molecular dessign
-
Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
-
Boyd, D. B. Successes of Computer-Assisted Molecular dessign. In Reviews in Computational Chemistry I; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1990; pp 355-372.
-
(1990)
Reviews in Computational Chemistry I
, pp. 355-372
-
-
Boyd, D.B.1
-
6
-
-
0027364222
-
Drugs by Design
-
Bugg, C. E.; Carson, W. M.; Montgomery, J. A. Drugs by Design. Sci. Am. 1993, 269, 92-98.
-
(1993)
Sci. Am.
, vol.269
, pp. 92-98
-
-
Bugg, C.E.1
Carson, W.M.2
Montgomery, J.A.3
-
7
-
-
0027548454
-
A Fast New Approach to Pharmacophore Mapping and Its Application to Dopaminergic and Benzodiazepine Agonists
-
Martin, Y. C.; Bures, M. G.; Danaher, E. A.; DeLazzer, J.; Lico, I.; Pavlik, P. A. A Fast New Approach to Pharmacophore Mapping and Its Application to Dopaminergic and Benzodiazepine Agonists. J. Comput.-Aided Mol. Des. 1993, 7, 83-102.
-
(1993)
J. Comput.-Aided Mol. Des.
, vol.7
, pp. 83-102
-
-
Martin, Y.C.1
Bures, M.G.2
Danaher, E.A.3
Delazzer, J.4
Lico, I.5
Pavlik, P.A.6
-
8
-
-
0021871375
-
A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules
-
Goodford, P. J. A Computational Procedure for Determining Energetically Favorable Binding Sites on Biologically Important Macromolecules. J. Mad. Chem. 1980, 28, 849-957.
-
(1980)
J. Mad. Chem.
, vol.28
, pp. 849-957
-
-
Goodford, P.J.1
-
9
-
-
84986432941
-
Automated Docking with Grid-Based Energy Evaluation
-
Meng, E. C.; Shoichet, B. K.; Kuntz, I. D. Automated Docking with Grid-Based Energy Evaluation. J. Comput. Chem. 1992, 13, 505-524.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 505-524
-
-
Meng, E.C.1
Shoichet, B.K.2
Kuntz, I.D.3
-
10
-
-
0026047763
-
Determination of the Relative Binding Free Energies of Peptide Inhibitors to the HIV-1 Protease
-
Ferguson, D. M.; Radmer, R. J.; Kollman, P. A. Determination of the Relative Binding Free Energies of Peptide Inhibitors to the HIV-1 Protease. J. Med. Chem. 1991, 34, 2654-2659.
-
(1991)
J. Med. Chem.
, vol.34
, pp. 2654-2659
-
-
Ferguson, D.M.1
Radmer, R.J.2
Kollman, P.A.3
-
11
-
-
0026503819
-
Application of Free Energy Simulations to the Binding of a Transition-State-Analog Inhibitors to HIV Protease
-
Tropsha, A.; Hermans, J. Application of Free Energy Simulations to the Binding of a Transition-State-Analog Inhibitors to HIV Protease. Protein Eng 1992, 5, 29-33.
-
(1992)
Protein Eng
, vol.5
, pp. 29-33
-
-
Tropsha, A.1
Hermans, J.2
-
12
-
-
0027762073
-
Three-Dimensional QSAR of Human Immunodeficiency Virus (I) Protease Inhibitors. 1. A CoMFA Study Employing Experimentally-Determined Alignment Rules
-
Waller, C. L.; Oprea, T. I.; Giolitti, A.; Marshall, G. R. Three-Dimensional QSAR of Human Immunodeficiency Virus (I) Protease Inhibitors. 1. A CoMFA Study Employing Experimentally-Determined Alignment Rules. J. Med. Chem. 1993, 36, 4152-4160.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 4152-4160
-
-
Waller, C.L.1
Oprea, T.I.2
Giolitti, A.3
Marshall, G.R.4
-
13
-
-
0000605095
-
Anticholinesterase Agents
-
Gilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds.; Pergamon: New York
-
Taylor, P. Anticholinesterase Agents. In The Pharmacological Basis of Therapeutics; Gilman, A. G., Rail, T. W., Nies, A. S., Taylor, P., Eds.; Pergamon: New York, 1990; pp 131-149.
-
(1990)
The Pharmacological Basis of Therapeutics
, pp. 131-149
-
-
Taylor, P.1
-
14
-
-
0027725881
-
Mechanism of Action of Cholinesterase Inhibitors in Alzheimer's Disease
-
Hakansson, L. Mechanism of Action of Cholinesterase Inhibitors in Alzheimer's Disease. Acta Neurol. Scand. Suppl. 1993, 149, 7-9.
-
(1993)
Acta Neurol. Scand. Suppl.
, vol.149
, pp. 7-9
-
-
Hakansson, L.1
-
15
-
-
0026726108
-
Brain and Cerebrospinal Fluid Cholinesterases in Alzheimer's Disease, Parkinson's Disease and Aging. a Critical Review of Clinical and Experimental Studies
-
Sirvio, J.; Riekkinen, P. J. Brain and Cerebrospinal Fluid Cholinesterases in Alzheimer's Disease, Parkinson's Disease and Aging. A Critical Review of Clinical and Experimental Studies. J. Neural Transm.: Parkinson's. Dis. Dementia Sect. 1992, 4, 337-358.
-
(1992)
J. Neural Transm.: Parkinson's. Dis. Dementia Sect.
, vol.4
, pp. 337-358
-
-
Sirvio, J.1
Riekkinen, P.J.2
-
16
-
-
0025514104
-
Myasthenia Gravis
-
Linton, D. M.; Philcox, D. Myasthenia Gravis. DM, Dis. Mon. 1990, 36, 593-637.
-
(1990)
DM, Dis. Mon.
, vol.36
, pp. 593-637
-
-
Linton, D.M.1
Philcox, D.2
-
17
-
-
0028122371
-
Novel Benzoisoxazole Derivatives as Potent and Selective Inhibitors of Acetylcholinesterase
-
Villalobos, A.; Blake, J. F.; Biggers, C. K.; Butler, T. W.; Chapin, D. S.; Chen, Y. L.; Ives, J. L.; Jones, S. B.; Liston, D. R.; Nagel, A. A. Novel Benzoisoxazole Derivatives as Potent and Selective Inhibitors of Acetylcholinesterase. J. Med. Chem. 1994, 37, 2721-2734.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2721-2734
-
-
Villalobos, A.1
Blake, J.F.2
Biggers, C.K.3
Butler, T.W.4
Chapin, D.S.5
Chen, Y.L.6
Ives, J.L.7
Jones, S.B.8
Liston, D.R.9
Nagel, A.A.10
-
18
-
-
0028104107
-
Central Cholinergic Agents. 6. Synthesis and Evaluation of 3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)- 1-propanones and Their Analogs as Central Selective Acetylcholinesterase Inhibitors
-
Ishihara, Y.; Hirai, K.; Miyamoto, M.; Goto, G. Central Cholinergic Agents. 6. Synthesis and Evaluation of 3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)- 1-propanones and Their Analogs as Central Selective Acetylcholinesterase Inhibitors. J. Med. Chem. 1994, 37, 2292-2299.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2292-2299
-
-
Ishihara, Y.1
Hirai, K.2
Miyamoto, M.3
Goto, G.4
-
19
-
-
0028016320
-
Syntheses and Anticholinesterase Activity of Tetrahydrobenzazepine Carbamates
-
Chen, Y. L.; Liston, D.; Nielsen, J.; Chapin, D.; Dunaiskis, A.; Hedberg, K.; Ives, J.; Johnson, J., Jr.; Jones, S. Syntheses and Anticholinesterase Activity of Tetrahydrobenzazepine Carbamates. J. Med. Chem. 1994, 37, 1996-2000.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 1996-2000
-
-
Chen, Y.L.1
Liston, D.2
Nielsen, J.3
Chapin, D.4
Dunaiskis, A.5
Hedberg, K.6
Ives, J.7
Johnson Jr., J.8
Jones, S.9
-
20
-
-
0028218323
-
Novel [2-4-Piperidinyl]ethyl(thio)ureas: Synthesis and Antiacetylcholinesterase Activity
-
Vidaluc, J. L.; Calmel, F.; Bigg, D.; Carilla, E.; Stenger, A.; Chopin, P.; Briley, M. Novel [2-(4-Piperidinyl]ethyl](thio)ureas: Synthesis and Antiacetylcholinesterase Activity. J. Med. Chem. 1994, 37, 689-695.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 689-695
-
-
Vidaluc, J.L.1
Calmel, F.2
Bigg, D.3
Carilla, E.4
Stenger, A.5
Chopin, P.6
Briley, M.7
-
21
-
-
0027516081
-
Synthesis of 2-Imidazolidinylidenepropanedinitrile Derivatives as Stimulators of Gastrointestinal Motility
-
Sasho, S.; Obase, H.; Ichikawa, S.; Kitazawa, T.; Nonaka, H.; Yoshizaki, R.; Ishii, A.; Shuto, K. Synthesis of 2-Imidazolidinylidenepropanedinitrile Derivatives as Stimulators of Gastrointestinal Motility. J. Med. Chem. 1993, 36, 572-579.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 572-579
-
-
Sasho, S.1
Obase, H.2
Ichikawa, S.3
Kitazawa, T.4
Nonaka, H.5
Yoshizaki, R.6
Ishii, A.7
Shuto, K.8
-
22
-
-
0025778840
-
Atomic Structure of Acetylcholinesterase from Torpedo californica: A Prototypic Acetylcholine-Binding Protein
-
Sussman, J. L.; Harel, M.; Frolow, F.; Oefner, C.; Goldman, A.; Toker, L.; Silman, I. Atomic Structure of Acetylcholinesterase from Torpedo californica: A Prototypic Acetylcholine-Binding Protein. Science 1991, 253, 8872-8879.
-
(1991)
Science
, vol.253
, pp. 8872-8879
-
-
Sussman, J.L.1
Harel, M.2
Frolow, F.3
Oefner, C.4
Goldman, A.5
Toker, L.6
Silman, I.7
-
23
-
-
0027368530
-
Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase
-
Harel, M.; Schalk, I.; Ehret-Sabatier, L.; Bouet, F.; Goeldner, M.; Hirth, C.; Axelsen, P. H.; Silman, I.; Sussman, J. L. Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase. Proc. Natl. Acad. Sci. U.S.A.. 1993, 90, 9031-9035.
-
(1993)
Proc. Natl. Acad. Sci. U.S.A..
, vol.90
, pp. 9031-9035
-
-
Harel, M.1
Schalk, I.2
Ehret-Sabatier, L.3
Bouet, F.4
Goeldner, M.5
Hirth, C.6
Axelsen, P.H.7
Silman, I.8
Sussman, J.L.9
-
24
-
-
0029655006
-
2 Guided Region Selection for Comparative Molecular Field Analysis (CoMFA): A Simple Method to Achieve Consistent Results
-
2 Guided Region Selection for Comparative Molecular Field Analysis (CoMFA): A Simple Method to Achieve Consistent Results. J. Med. Chem. 1995, 38, 1060-1066.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1060-1066
-
-
Cho, S.J.1
Tropsha, A.2
-
26
-
-
12644282912
-
-
The program Sybyl 6.0 is available from Tripos Associates, 1699 South Hanley Road, St Louis, MO 63144
-
The program Sybyl 6.0 is available from Tripos Associates, 1699 South Hanley Road, St Louis, MO 63144.
-
-
-
-
27
-
-
84988115618
-
Validation of the General Purpose Tripos 5.2 Force Field
-
Clark, M.; Cramer, R. D., III; Van Opdenbosh, N. Validation of the General Purpose Tripos 5.2 Force Field. J. Comput. Chem. 1989, 10, 982-1012.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 982-1012
-
-
Clark, M.1
Cramer III, R.D.2
Van Opdenbosh, N.3
-
28
-
-
0026782381
-
Inhibition of Acetylcholinesterase by Hemicholiniums, Conformationally Constrained Choline Analogues. Evaluation of Aryl and Alkyl Substituents. Comparisons with Choline and (3-Hydroxyphenyl)trimethylammonium
-
Lee, B. H.; Stelly, T. C.; Colucci, W. J.; Garcia, G.; Gandour, R. D.; Quinn, D. M. Inhibition of Acetylcholinesterase by Hemicholiniums, Conformationally Constrained Choline Analogues. Evaluation of Aryl and Alkyl Substituents. Comparisons with Choline and (3-Hydroxyphenyl)trimethylammonium. Chem. Res. Toxicol. 1992, 5, 411-418.
-
(1992)
Chem. Res. Toxicol.
, vol.5
, pp. 411-418
-
-
Lee, B.H.1
Stelly, T.C.2
Colucci, W.J.3
Garcia, G.4
Gandour, R.D.5
Quinn, D.M.6
-
29
-
-
0024418705
-
Interaction of Quaternary Ammonium Compounds with Acetylcholinesterase: Characterization of the Active Site
-
Thanei-Wyss, P.; Waser, P. G. Interaction of Quaternary Ammonium Compounds with Acetylcholinesterase: Characterization of the Active Site. Eur. J. Pharmacol. 1989, 172, 165-173.
-
(1989)
Eur. J. Pharmacol.
, vol.172
, pp. 165-173
-
-
Thanei-Wyss, P.1
Waser, P.G.2
-
30
-
-
0016244150
-
Studies on the Conformational Requirements of Substrate and Inhibitor on Acetylcholinesterase
-
Cocolas, G. H.; Cranford, J. G.; Choi, H. S. Y. Studies on the Conformational Requirements of Substrate and Inhibitor on Acetylcholinesterase. J. Med. Chem. 1974, 17, 938-943.
-
(1974)
J. Med. Chem.
, vol.17
, pp. 938-943
-
-
Cocolas, G.H.1
Cranford, J.G.2
Choi, H.S.Y.3
-
31
-
-
0024500536
-
Comparative Inhibitory Effects of Various Physostigmine Analogs Against Acetyl- And Butyrylcholinesterases
-
Atack, J. R.; Yu, Q. S.; Soncrant, T. T.; Brossi, A.; Rapoport, S. I. Comparative Inhibitory Effects of Various Physostigmine Analogs Against Acetyl- and Butyrylcholinesterases. J. Pharmacol. Exp. Ther. 1989, 249, 194-202.
-
(1989)
J. Pharmacol. Exp. Ther.
, vol.249
, pp. 194-202
-
-
Atack, J.R.1
Yu, Q.S.2
Soncrant, T.T.3
Brossi, A.4
Rapoport, S.I.5
-
33
-
-
0030053733
-
Three-Dimensional Quantitative Structure-Activity Relationship for Inhibitors of Cytochrome P4502C9
-
Jones, J. P.; He, M.; Trager, W. F.; Rettie, A. E. Three-Dimensional Quantitative Structure-Activity Relationship for Inhibitors of Cytochrome P4502C9. Drug Metab. Dispos. 1996, 24, 1-6.
-
(1996)
Drug Metab. Dispos.
, vol.24
, pp. 1-6
-
-
Jones, J.P.1
He, M.2
Trager, W.F.3
Rettie, A.E.4
|