-
1
-
-
0036188538
-
Mechanisms of resistance of Plasmodium falciparum toantimalarial drugs
-
J.E. Hyde, "Mechanisms of resistance of Plasmodium falciparum toantimalarial drugs," Microbes Infect. 4 (2002) 165-174.
-
(2002)
Microbes Infect.
, vol.4
, pp. 165-174
-
-
Hyde, J.E.1
-
2
-
-
0036185240
-
Basis for antifolate action and resistance in malaria
-
Y. Yuthavong, "Basis for antifolate action and resistance in malaria," Microbes Infect. 4 (2002) 175-182.
-
(2002)
Microbes Infect.
, vol.4
, pp. 175-182
-
-
Yuthavong, Y.1
-
3
-
-
0017748623
-
Folate metabolism in malaria
-
R. Ferone, "Folate metabolism in malaria,." Bull. World Health Organ.55 (1977) 291-298.
-
(1977)
Bull. World Health Organ.
, vol.55
, pp. 291-298
-
-
Ferone, R.1
-
4
-
-
0242501573
-
Insights into antifolate resistance from malarial DHFR-TS structures
-
J. Yuvaniyama, P. Chitnumsub, S. Kamchonwongpaison, J. Vanichtanankul, W. Sirawaraporn, P. Taylor, M. Walkinshaw, Y. Yuthavong, "Insights into antifolate resistance from malarial DHFR-TS structures," Nat. Struct. Biol. 10 (2003) 357-365.
-
(2003)
Nat. Struct. Biol.
, vol.10
, pp. 357-365
-
-
Yuvaniyama, J.1
Chitnumsub, P.2
Kamchonwongpaison, S.3
Vanichtanankul, J.4
Sirawaraporn, W.5
Taylor, P.6
Walkinshaw, M.7
Yuthavong, Y.8
-
5
-
-
0031037364
-
Antifolate-resistant mutants of Plasmodium falciparum dihydrofolate reductase
-
W. Sirawaraporn, T. Sathikul, R. Sirawaraporn, Y. Yuthavong, D.V. Santi, "Antifolate-resistant mutants of Plasmodium falciparum dihydrofolate reductase," Proc. Natl. Acad. Sci. 94 (1997) 1124-1129.
-
(1997)
Proc. Natl. Acad. Sci.
, vol.94
, pp. 1124-1129
-
-
Sirawaraporn, W.1
Sathikul, T.2
Sirawaraporn, R.3
Yuthavong, Y.4
Santi, D.V.5
-
6
-
-
24944558791
-
Crystal structure of dihydrofolate reductase from Plasmodium vivax: Pyrimethamine displacement linked with mutation-induced resistance
-
P. Kongsaeree, P. Khongsuk, U. Leartsakulpanich, P. Chitnumsub, B. Tarnchombpoo, M.D. Walkinshaw, Y. Yuthavong, "Crystal structure of dihydrofolate reductase from Plasmodium vivax: pyrimethamine displacement linked with mutation-induced resistance," Proc. Natl. Acad. Sci. U.S.A. 102 (2005) 13046-13051.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A.
, vol.102
, pp. 13046-13051
-
-
Kongsaeree, P.1
Khongsuk, P.2
Leartsakulpanich, U.3
Chitnumsub, P.4
Tarnchombpoo, B.5
Walkinshaw, M.D.6
Yuthavong, Y.7
-
7
-
-
12844269343
-
Structure-based drug discovery for Plasmodium falciparum
-
C. Mehlin, "Structure-based drug discovery for Plasmodium falciparum," Comb. Chem. High Throughput Screen. 8 (2005) 5-14.
-
(2005)
Comb. Chem. High Throughput Screen.
, vol.8
, pp. 5-14
-
-
Mehlin, C.1
-
8
-
-
1442326738
-
Structure-based approaches to the development of novel anti-malarials
-
R.L. Brady, A. Cameron, "Structure-based approaches to the development of novel anti-malarials," Curr. Drug Targets 5 (2004) 137-149.
-
(2004)
Curr. Drug Targets
, vol.5
, pp. 137-149
-
-
Brady, R.L.1
Cameron, A.2
-
9
-
-
0037008362
-
Molecular modeling of wild-type and antifolate resistant mutant Plasmodium falciparum DHFR
-
R.T. Delfino, O.A. Santos-Filho, J.D. Figueroa-Villar, "Molecular modeling of wild-type and antifolate resistant mutant Plasmodium falciparum DHFR," Biophys. Chem. 98 (2002) 287-300.
-
(2002)
Biophys. Chem.
, vol.98
, pp. 287-300
-
-
Delfino, R.T.1
Santos-Filho, O.A.2
Figueroa-Villar, J.D.3
-
10
-
-
9144272211
-
Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities
-
S. Kamchonwongpaison, R. Quarrell, N. Charoensetakul, R. Ponsinet, T. Vilaivan, J. Vanichtanankul,W. Tarnchampoo,W. Sirawaraporn, G. Lowe, Y. Yuthavong, "Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities," J. Med. Chem. 47 (2004) 673-680.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 673-680
-
-
Kamchonwongpaison, S.1
Quarrell, R.2
Charoensetakul, N.3
Ponsinet, R.4
Vilaivan, T.5
Vanichtanankul, J.6
Tarnchampoo, W.7
Sirawaraporn, W.8
Lowe, G.9
Yuthavong, Y.10
-
11
-
-
14744274646
-
Stoichiometric selection of tightbinding inhibitors by wild-type and mutant forms of malarial (Plasmodium falciparum) dihydrofolate reductase
-
S. Kamchonwongpaison, J. Vanichtanankul, B. Tarnchampoo, J. Yuvaniyama, S. Taweechai, Y. Yuthavong, "Stoichiometric selection of tightbinding inhibitors by wild-type and mutant forms of malarial (Plasmodium falciparum) dihydrofolate reductase," Anal. Chem. 77 (2005) 1222-1227.
-
(2005)
Anal. Chem.
, vol.77
, pp. 1222-1227
-
-
Kamchonwongpaison, S.1
Vanichtanankul, J.2
Tarnchampoo, B.3
Yuvaniyama, J.4
Taweechai, S.5
Yuthavong, Y.6
-
12
-
-
3843137418
-
Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach
-
M.D. Parenti, S. Pacchioni, A.M. Ferrari, G. Rastelli, "Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach," J. Med. Chem. 47 (2004) 4258-4267.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 4258-4267
-
-
Parenti, M.D.1
Pacchioni, S.2
Ferrari, A.M.3
Rastelli, G.4
-
13
-
-
0036311211
-
QSAR studies on biological activity of piritrexium analogues against pc DHFR
-
V.K. Agrawal, R. Sohgaura, P.V. Khadikar, "QSAR studies on biological activity of piritrexium analogues against pc DHFR," Bioorg. Med. Chem. 10 (2002) 2919-2926.
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 2919-2926
-
-
Agrawal, V.K.1
Sohgaura, R.2
Khadikar, P.V.3
-
14
-
-
0037352051
-
Prediction of dihyrdrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis
-
B.E. Mattioni, P.C. Jurs, "Prediction of dihyrdrofolate reductase inhibition and selectivity using computational neural networks and linear discriminant analysis," J. Mol. Graph. Model. 21 (2003) 391-419.
-
(2003)
J. Mol. Graph. Model.
, vol.21
, pp. 391-419
-
-
Mattioni, B.E.1
Jurs, P.C.2
-
15
-
-
14944360487
-
CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, and rat liver dihydrofolate reductase
-
A. Gangjee, X. Lee, "CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, and rat liver dihydrofolate reductase," J. Med. Chem. (2005) 1448-1469.
-
(2005)
J. Med. Chem.
, pp. 1448-1469
-
-
Gangjee, A.1
Lee, X.2
-
16
-
-
16644388220
-
Three-dimensional quantitative structure-activity and structure-selectivity relationships of dihydrofolate reductase inhibitors
-
J.J. Sutherland, D.F. Weaver, "Three-dimensional quantitative structure-activity and structure-selectivity relationships of dihydrofolate reductase inhibitors," J. Comput. Aided Drug Des. 18 (2004) 309-331.
-
(2004)
J. Comput. Aided Drug Des.
, vol.18
, pp. 309-331
-
-
Sutherland, J.J.1
Weaver, D.F.2
-
17
-
-
14944360487
-
CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase
-
A. Ganjee, X. Lin, "CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase," J. Med. Chem. 48 (2005) 1448-1469.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 1448-1469
-
-
Ganjee, A.1
Lin, X.2
-
18
-
-
0035146602
-
A search for sources of dru resistance by the 4D-QSAR analysis of a set of anti-malarial dihydrofolate reductase inhibitors
-
O.A. Santos-Filho, A.J. Hopfinger, "A search for sources of dru resistance by the 4D-QSAR analysis of a set of anti-malarial dihydrofolate reductase inhibitors," J. Comput. Aided Mol. Des. 15 (2001) 1-12.
-
(2001)
J. Comput. Aided Mol. Des.
, vol.15
, pp. 1-12
-
-
Santos-Filho, O.A.1
Hopfinger, A.J.2
-
19
-
-
1542426115
-
Development of neural network QSPR Models for hansch substituent constants. 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors
-
T.-L. Chiu, S.-S. So, "Development of neural network QSPR Models for hansch substituent constants. 2. Applications in QSAR studies of HIV-1 reverse transcriptase and dihydrofolate reductase inhibitors," J. Chem. Inf.Comput. Sci. 44 (2004) 154-160.
-
(2004)
J. Chem. Inf.Comput. Sci.
, vol.44
, pp. 154-160
-
-
Chiu, T.-L.1
So, S.-S.2
-
20
-
-
40649099359
-
Silico screening against wild-type and mutant plasmodium falciparum dihydrofolate reductase
-
GB Fogel, M. Cheung, E. Pittman, D. Hecht, "In Silico Screening Against Wild-Type and Mutant Plasmodium falciparum Dihydrofolate Reductase", J.Molecular Graphics and Modelling, 26 (2008) 1145-1152.
-
(2008)
J.Molecular Graphics and Modelling
, vol.26
, pp. 1145-1152
-
-
Fogel, G.B.1
Cheung, M.2
Pittman, E.3
Hecht, D.4
-
21
-
-
38649091945
-
Modeling the inhibition of quadruple mutant plasmodium falciparum dihydrofolate reductase by pyrimethamine derivatives
-
GB Fogel, M. Cheung, E. Pittman, D. Hecht, "Modeling the Inhibition of Quadruple Mutant Plasmodium falciparum Dihydrofolate Reductase by Pyrimethamine Derivatives," J. Comput. Aided Mol. Des., 22 (2008) 29-38.
-
(2008)
J. Comput. Aided Mol. Des.
, vol.22
, pp. 29-38
-
-
Fogel, G.B.1
Cheung, M.2
Pittman, E.3
Hecht, D.4
-
22
-
-
39949084319
-
QSAR using evolved neural networks for the inhibition of mutant PfDHFR by pyrimethamine derivatives
-
D. Hecht, M. Cheung., GB Fogel, "QSAR Using Evolved Neural Networks for the Inhibition of Mutant PfDHFR by Pyrimethamine Derivatives," Biosystems, 92 (2008) 10-15.
-
(2008)
Biosystems
, vol.92
, pp. 10-15
-
-
Hecht, D.1
Cheung, M.2
Fogel, G.B.3
-
23
-
-
70449775487
-
Docking scores and QSAR using evolved neural networks for the pan-inhibition of wild-type and mutant PfDHFR by cycloguanil derivatives
-
D. Hecht, M. Cheung, GB Fogel, "Docking Scores and QSAR Using Evolved Neural Networks for the Pan-Inhibition of Wild-type and Mutant PfDHFR by Cycloguanil Derivatives," 2009 IEEE Congress on Evolutionary Computation, Trondheim, Norway (2009) 262-269.
-
(2009)
2009 IEEE Congress on Evolutionary Computation, Trondheim, Norway
, pp. 262-269
-
-
Hecht, D.1
Cheung, M.2
Fogel, G.B.3
-
24
-
-
66149089880
-
A novel in silico approach to drug discovery via computational intelligence
-
D. Hecht, GB Fogel, "A novel in silico approach to drug discovery via computational intelligence," J Chem Inf Model., 49 (2009) 1105-21.
-
(2009)
J Chem Inf Model
, vol.49
, pp. 1105-1121
-
-
Hecht, D.1
Fogel, G.B.2
-
25
-
-
0035349729
-
Predicting adaptive evolution
-
R.M. Bush, "Predicting adaptive evolution," Nature Reviews Genetics 2, (2001) 387-392.
-
(2001)
Nature Reviews Genetics
, vol.2
, pp. 387-392
-
-
Bush, R.M.1
-
26
-
-
0034024602
-
Predicting the evolution of human influenza A
-
W.M. Fitch, R.M. Bush, C.A. Bender, K. Subbarao, N.J. Cox, "Predicting the evolution of human influenza A," Journal of Heredity 91 (2000) 183-185.
-
(2000)
Journal of Heredity
, vol.91
, pp. 183-185
-
-
Fitch, W.M.1
Bush, R.M.2
Bender, C.A.3
Subbarao, K.4
Cox, N.J.5
-
28
-
-
0001398008
-
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules
-
J. Wang, P. Cieplak, P.A. Kollman, "How Well Does a Restrained Electrostatic Potential (RESP) Model Perform in Calculating Conformational Energies of Organic and Biological Molecules," J. Comput. Chem. Vol. 21, pp.1049-1074.
-
J. Comput. Chem.
, vol.21
, pp. 1049-1074
-
-
Wang, J.1
Cieplak, P.2
Kollman, P.A.3
-
29
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
G. Jones, P. Willett, R. C. Glen, A. R. Leach and R. Taylor, "Development and Validation of a Genetic Algorithm for Flexible Docking," J. Mol. Biol. 267 (1997) 727-748.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
30
-
-
62449330667
-
Empirical scoring functions for advanced protein-ligand docking with PLANTS
-
O. Korb, T. Stützle, T. E. Exner, "Empirical scoring functions for advanced protein-ligand docking with PLANTS," Journal of Chemical Information and Modeling, 49 (2009) 84-96.
-
(2009)
Journal of Chemical Information and Modeling
, vol.49
, pp. 84-96
-
-
Korb, O.1
Stützle, T.2
Exner, T.E.3
-
31
-
-
15144349302
-
Rational drug design approach for overcoming drug resistance: Application to pyrimethamine resistance in malaria
-
J.H. McKie, K.T. Douglas, C. Chan, S.A. Roser, R. Yates, M. Read, J.E. Hyde, M.J. Dascombe, Y.Y., W. Sirawaraporn, "Rational drug design approach for overcoming drug resistance: Application to pyrimethamine resistance in malaria," J. Med. Chem., 41 (1998) 1367-1370.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 1367-1370
-
-
McKie, J.H.1
Douglas, K.T.2
Chan, C.3
Roser, S.A.4
Yates, R.5
Read, M.6
Hyde, J.E.7
Dascombe Y Y, M.J.8
Sirawaraporn, W.9
|