-
1
-
-
0001772571
-
-
Harris, M., Ed.; NIH publication
-
Kenny, S. J.; Aubert, R. E.; Geiss, L. S. Diabetes in America, 2nd ed.; Harris, M., Ed.; NIH publication: 1995; pp 47-67.
-
(1995)
Diabetes in America, 2nd Ed.
, pp. 47-67
-
-
Kenny, S.J.1
Aubert, R.E.2
Geiss, L.S.3
-
2
-
-
0023136556
-
Mortality and survival in Type 2 (Noninsulin-Dependent) Diabetes mellitus
-
Panzram, G. Mortality and survival in Type 2 (Noninsulin-Dependent) Diabetes mellitus. Diabetotogia 1987, 30, 123-31.
-
(1987)
Diabetotogia
, vol.30
, pp. 123-131
-
-
Panzram, G.1
-
3
-
-
0027253061
-
Long-term Complications of diabetes mellitus
-
Nathan, D. M.; Long-term Complications of diabetes mellitus. New Engl. J. Med. 1993, 328, 1676-85.
-
(1993)
New Engl. J. Med.
, vol.328
, pp. 1676-1685
-
-
Nathan, D.M.1
-
4
-
-
0026590484
-
Pathogenesis of NIDDM. A balanced overview
-
DeFronzo, R. A.; Bonadonna, R. C.; Ferrannini, E. Pathogenesis of NIDDM. A balanced overview. Diabetes Care 1992, 15, 8-369.
-
(1992)
Diabetes Care
, vol.15
, pp. 8-369
-
-
DeFronzo, R.A.1
Bonadonna, R.C.2
Ferrannini, E.3
-
5
-
-
0026591523
-
Role of liver in pathophysiology of NIDDM
-
Consoli, A. Role of liver in pathophysiology of NIDDM. Diabetes Care 1992, 15, 430-441.
-
(1992)
Diabetes Care
, vol.15
, pp. 430-441
-
-
Consoli, A.1
-
6
-
-
0027008269
-
Role of liver and muscle in type II diabetes
-
Gerich, J. E. Role of liver and muscle in type II diabetes. Horn. Metab. Res. 1992, 26, 18-21.
-
(1992)
Horn. Metab. Res.
, vol.26
, pp. 18-21
-
-
Gerich, J.E.1
-
7
-
-
0025748581
-
Glucose analogue inhibitors of glycogen phosphorylase: The design of potential drugs for diabetes
-
Martin, J. L.; Veluraja, K.; Johnson, L. N.; Fleet, G. W. J.; Ramsden, N. G.; Bruce, I.; Oikonomakos, N.G.; Papageorgiou, A. C.; Leonidas, D. D.; Tsitoura, H. S. Glucose analogue inhibitors of glycogen phosphorylase: the design of potential drugs for diabetes. Biochemistry 1991, 30, 10101-10116.
-
(1991)
Biochemistry
, vol.30
, pp. 10101-10116
-
-
Martin, J.L.1
Veluraja, K.2
Johnson, L.N.3
Fleet, G.W.J.4
Ramsden, N.G.5
Bruce, I.6
Oikonomakos, N.G.7
Papageorgiou, A.C.8
Leonidas, D.D.9
Tsitoura, H.S.10
-
8
-
-
0028360180
-
Design of inhibitors of glycogen phosphorylase: A study of alpha- And beta-C-glucosides and 1-thio-beta-D-glucose compounds
-
Watson, K. A.; Mitchell, E. P.; Johnson, L. N.; Son, J. C.; Bichard, C. J. F.; Orchard, M. G.; Fleet, G. W. J.; Oikonoraakos, N. G.; Leonidas, D. D.; Kontou, M.; Papageorgiou, A. C. Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds. Biochemistry 1994, 33, 5745-5758.
-
(1994)
Biochemistry
, vol.33
, pp. 5745-5758
-
-
Watson, K.A.1
Mitchell, E.P.2
Johnson, L.N.3
Son, J.C.4
Bichard, C.J.F.5
Orchard, M.G.6
Fleet, G.W.J.7
Oikonoraakos, N.G.8
Leonidas, D.D.9
Kontou, M.10
Papageorgiou, A.C.11
-
9
-
-
0000119906
-
Glucose analogue inhibitors of glycogen phosphorylase: From crystallographic analysis to drug prediction using GRID force-field and GOLPE variable selection
-
Watson, K. A.; Mitchell, E. P.; Johnson, L. N.; Cruciani, G.; Son, J. C.; Bichard, C. J. F.; Fleet, G. W. J.; Oikonomakos, N. G.; Kontou, M.; Zographos, S. E. Glucose Analogue Inhibitors of Glycogen Phosphorylase: From Crystallographic Analysis to Drug Prediction Using GRID Force-Field and GOLPE Variable Selection. Acta Crystallogr. Sect. 1995, D51, 458-472.
-
(1995)
Acta Crystallogr. Sect.
, vol.D51
, pp. 458-472
-
-
Watson, K.A.1
Mitchell, E.P.2
Johnson, L.N.3
Cruciani, G.4
Son, J.C.5
Bichard, C.J.F.6
Fleet, G.W.J.7
Oikonomakos, N.G.8
Kontou, M.9
Zographos, S.E.10
-
10
-
-
0028955885
-
Potent inhibition of glycogen phosphorylase by a spirohydantoin of glucopyranose: First pyranose analogues of hydantocidin
-
Bichard, C. J. F.; Mitchell, E. P.; Wormald, M. R.; Watson, K. A.; Johnson, L. N.; Zographos, S. E.; Koutra, D. D.; Oikonomakos, N. G.; Fleet, G. W. J. Potent inhibition of glycogen phosphorylase by a spirohydantoin of glucopyranose: first pyranose analogues of hydantocidin. Tetrahedron Lett. 1995, 36, 2145-2148.
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 2145-2148
-
-
Bichard, C.J.F.1
Mitchell, E.P.2
Wormald, M.R.3
Watson, K.A.4
Johnson, L.N.5
Zographos, S.E.6
Koutra, D.D.7
Oikonomakos, N.G.8
Fleet, G.W.J.9
-
11
-
-
0028972335
-
N-acetyl-{beta}-D-glucopyranosylamine: A potent T-state inhibitor of glycogen phosphorylase. a comparison with {alpha}-D-glucose
-
Oikonomakos, N. G.; Kontou, M.; Zographos, S. E.; Watson, K. A.; Johnson, L. N.; Bichard, C. J. F.; Fleet, G. W. J.; Acharya, K. R. N-acetyl-{beta}-D- glucopyranosylamine: A potent T-state inhibitor of glycogen phosphorylase. A comparison with {alpha}-D-glucose. Protein Sci. 1995, 4, 2469-2477.
-
(1995)
Protein Sci.
, vol.4
, pp. 2469-2477
-
-
Oikonomakos, N.G.1
Kontou, M.2
Zographos, S.E.3
Watson, K.A.4
Johnson, L.N.5
Bichard, C.J.F.6
Fleet, G.W.J.7
Acharya, K.R.8
-
12
-
-
12644289292
-
The structure of glycogen phosphorylase b with an alkyldihydropyridine- dicarboxylic acid compound, a novel and potent inhibitor
-
Zographos, S. E.; Oikonomakos, N. G.; Tsitsanou, K. E.; Leonidas, D. D.; Chrysina, E. D.; Skamnaki, V. T.; Bischoff, H.; Goldman, S.; Schram, M.; Watson, K. A.; Johnson, L. N. The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor. Structure 1997, 5, 1413-1425.
-
(1997)
Structure
, vol.5
, pp. 1413-1425
-
-
Zographos, S.E.1
Oikonomakos, N.G.2
Tsitsanou, K.E.3
Leonidas, D.D.4
Chrysina, E.D.5
Skamnaki, V.T.6
Bischoff, H.7
Goldman, S.8
Schram, M.9
Watson, K.A.10
Johnson, L.N.11
-
13
-
-
0031956876
-
The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 a resolution and 100 K: The role of the water structure and its contribution to binding
-
Gregoriou, M.; Noble, M. E. M.; Watson, K. A.; Garman, E. F.; Krulle, T. M.; Fuente, C.; Fleet, G. W. J.; Oikonomakos, N. G.; Johnson, L. N. The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: The role of the water structure and its contribution to binding. Protein Sci. 1998, 7, 915-927.
-
(1998)
Protein Sci.
, vol.7
, pp. 915-927
-
-
Gregoriou, M.1
Noble, M.E.M.2
Watson, K.A.3
Garman, E.F.4
Krulle, T.M.5
Fuente, C.6
Fleet, G.W.J.7
Oikonomakos, N.G.8
Johnson, L.N.9
-
14
-
-
0032882213
-
Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl- pyridine-3,5,6-tricarboxylate
-
Oikonomakos, N. G.; Tsitsanou, K. E.; Zographos, S. E.; Skamnaki, V. T.; Goldmann, S.; Bischoff, H. Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1- ethyl-2-methyl-pyridine-3,5,6-tricarboxylate. Protein Sci. 1999, 8, 1930-1945.
-
(1999)
Protein Sci.
, vol.8
, pp. 1930-1945
-
-
Oikonomakos, N.G.1
Tsitsanou, K.E.2
Zographos, S.E.3
Skamnaki, V.T.4
Goldmann, S.5
Bischoff, H.6
-
15
-
-
0034660681
-
A new allosteric site in glycogen phosphorylase b as a target for drug interactions
-
Oikonomakos, N. G.; Skamnaki, V. T.; Tsitsanou, K. E.; Gavalas, N. G.; Johnson, L. N. A new allosteric site in glycogen phosphorylase b as a target for drug interactions. Structure 2000, 8, 575-984.
-
(2000)
Structure
, vol.8
, pp. 575-984
-
-
Oikonomakos, N.G.1
Skamnaki, V.T.2
Tsitsanou, K.E.3
Gavalas, N.G.4
Johnson, L.N.5
-
16
-
-
0004178481
-
-
CRC Press: Boca Raton, FL
-
Johnson, L. N.; Hajdu, J.; Acharya, K. R.; Stuart, D. I.; McLaughlin, P. J.; Oikonomakos, N. G.; Barford, D. Allosteric Enzymes; CRC Press: Boca Raton, FL, 1989; pp 81-127.
-
(1989)
Allosteric Enzymes
, pp. 81-127
-
-
Johnson, L.N.1
Hajdu, J.2
Acharya, K.R.3
Stuart, D.I.4
McLaughlin, P.J.5
Oikonomakos, N.G.6
Barford, D.7
-
17
-
-
0026562948
-
Glycogen phosphorylase: Control by phosphorylation and allosteric effectors
-
Johnson, L. N. Glycogen phosphorylase: control by phosphorylation and allosteric effectors. FASEB J. 1992, 6, 2274-2282.
-
(1992)
FASEB J.
, vol.6
, pp. 2274-2282
-
-
Johnson, L.N.1
-
18
-
-
0002231480
-
Rabbit muscle glycogen phosphorylase b. The structural basis of activation and catalysis (review)
-
CRC Press: Boca Raton, FL
-
Oikonomakos, N. G.; Acharya, K. R.; Johnson, L. N. Rabbit muscle glycogen phosphorylase b. The structural basis of activation and catalysis (review). Post-translational Modification of Proteins; CRC Press: Boca Raton, FL, 1992; pp 81-151.
-
(1992)
Post-translational Modification of Proteins
, pp. 81-151
-
-
Oikonomakos, N.G.1
Acharya, K.R.2
Johnson, L.N.3
-
19
-
-
0024306438
-
The family of glycogen phosphorylase, structure and function
-
Newgard, C. B.; Hwang, P. K.; Fletterick, R. J. The family of glycogen phosphorylase, structure and function. Crit. Rev. Biochem. Mol. Biol. 1989, 24, 69-99.
-
(1989)
Crit. Rev. Biochem. Mol. Biol.
, vol.24
, pp. 69-99
-
-
Newgard, C.B.1
Hwang, P.K.2
Fletterick, R.J.3
-
20
-
-
0011438540
-
Effects of N-Acetyl-b-D-glucopyranosylamine on glycogen metabolism by isolated hepatocytes
-
Board, M.; Johnson, L. N. Effects of N-Acetyl-b-D-glucopyranosylamine on glycogen metabolism by isolated hepatocytes. Diabetes Res. 1995, 28, 95-109.
-
(1995)
Diabetes Res.
, vol.28
, pp. 95-109
-
-
Board, M.1
Johnson, L.N.2
-
21
-
-
84964092503
-
Mechanism of formation of hexosemonophosphate in muscle and isolation of a new phosphate ester
-
Con, C. F.; Cori, G. T. Mechanism of formation of hexosemonophosphate in muscle and isolation of a new phosphate ester. Proc. Soc. Exp. Biol. Med. 1936, 34, 720-705.
-
(1936)
Proc. Soc. Exp. Biol. Med.
, vol.34
, pp. 720-1705
-
-
Con, C.F.1
Cori, G.T.2
-
22
-
-
0342793524
-
Etudes enzymatiques sur fragments hepatiques; application a la classification des glycogenoses
-
Hers, H. Etudes enzymatiques sur fragments hepatiques; application a la classification des glycogenoses. Rev. Int. Hepatol 1959, 9, 35-36.
-
(1959)
Rev. Int. Hepatol
, vol.9
, pp. 35-36
-
-
Hers, H.1
-
23
-
-
0023571421
-
McArdle's and Hers' disases: Glycogen phosphorylase transcriptional expression in human tissues
-
Gorin, F. A.; Mullinax, R. L.; Ignacio, P. C.; Neve, R. L.; Kurnit, D. M. McArdle's and Hers' disases: glycogen phosphorylase transcriptional expression in human tissues. J. Neurogenet. 1987, 4, 293-308.
-
(1987)
J. Neurogenet.
, vol.4
, pp. 293-308
-
-
Gorin, F.A.1
Mullinax, R.L.2
Ignacio, P.C.3
Neve, R.L.4
Kurnit, D.M.5
-
24
-
-
0025768055
-
The role of the liver in metabolic homeostasis: Implications for inborn errors of metabolism
-
van den Berghe, G. The role of the liver in metabolic homeostasis: implications for inborn errors of metabolism. J. Inherit. Metab. Dis. 1991, 14, 407-20.
-
(1991)
J. Inherit. Metab. Dis.
, vol.14
, pp. 407-420
-
-
Van Den Berghe, G.1
-
25
-
-
0025994801
-
No reduction in total hepatic glucose output by inhibition of gluconeogenesis with ethanol in NIDDM patients
-
Puhakainen, I.; Koivisto, V. A.; Yki-Jarvinen, H. No reduction in total hepatic glucose output by inhibition of gluconeogenesis with ethanol in NIDDM patients. Diabetes 1991, 40, 1319-27.
-
(1991)
Diabetes
, vol.40
, pp. 1319-1327
-
-
Puhakainen, I.1
Koivisto, V.A.2
Yki-Jarvinen, H.3
-
26
-
-
0032581640
-
Indole-2-carboxamide inhibitors of human liver glycogen phosphorylase
-
Hoover, D. J.; Lefkowitz-Snow, S.; Burgess-Henry, J. L.; Martin, W. H.; Armento, S. J.; Stock, I. A.; McPherson, R. K.; Genereux, P. E.; Gibbs, E. M.; Treadway, J. L. Indole-2-carboxamide inhibitors of human liver glycogen phosphorylase. J. Med. Chem. 1998, 41, 2934-2938.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 2934-2938
-
-
Hoover, D.J.1
Lefkowitz-Snow, S.2
Burgess-Henry, J.L.3
Martin, W.H.4
Armento, S.J.5
Stock, I.A.6
McPherson, R.K.7
Genereux, P.E.8
Gibbs, E.M.9
Treadway, J.L.10
-
27
-
-
2542606176
-
Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis
-
Pan, D.; Liu, J.; Senese, C.; Hopfinger, A. J.; Tseng, Y. Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis. J. Med. Chem. 2004, 47(12), 3075-88.
-
(2004)
J. Med. Chem.
, vol.47
, Issue.12
, pp. 3075-3088
-
-
Pan, D.1
Liu, J.2
Senese, C.3
Hopfinger, A.J.4
Tseng, Y.5
-
28
-
-
0141994397
-
Quantitative structure-based design: Formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylase
-
Pan, D.; Tseng, Y.; Hopfinger, A. J. Quantitative structure-based design: formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylase. J. Chem. Inf. Comput. Sci. 2003, 43(5), 1591-607.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, Issue.5
, pp. 1591-1607
-
-
Pan, D.1
Tseng, Y.2
Hopfinger, A.J.3
-
29
-
-
0037413569
-
Surface descriptors for protein-ligand affinity prediction
-
Zamora, I.; Oprea, T.; Cruciani, G.; Pastor, M.; Ungell, A. L. Surface descriptors for protein-ligand affinity prediction. J. Med. Chem. 2003, 46(1), 25-33.
-
(2003)
J. Med. Chem.
, vol.46
, Issue.1
, pp. 25-33
-
-
Zamora, I.1
Oprea, T.2
Cruciani, G.3
Pastor, M.4
Ungell, A.L.5
-
30
-
-
0037068492
-
Klebe DrugScore meets CoMFA: Adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein
-
Gohlke, H. Klebe DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein. J. Med. Chem. 2002, 45(19), 4153-70.
-
(2002)
J. Med. Chem.
, vol.45
, Issue.19
, pp. 4153-4170
-
-
Gohlke, H.1
-
31
-
-
0037122709
-
New approach to pharmacophore mapping and QSAR analysis using inductive logic programming. Application to thermolysin inhibitors and glycogen phosphorylase B inhibitors
-
Marchand-Geneste, N.; Watson, K. A.; Alsberg, B. K.; King, R. D. New approach to pharmacophore mapping and QSAR analysis using inductive logic programming. Application to thermolysin inhibitors and glycogen phosphorylase B inhibitors. J. Med. Chem. 2002, 45(2), 399-409.
-
(2002)
J. Med. Chem.
, vol.45
, Issue.2
, pp. 399-409
-
-
Marchand-Geneste, N.1
Watson, K.A.2
Alsberg, B.K.3
King, R.D.4
-
32
-
-
0034798039
-
Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches
-
So, S. S.; Karplus, M. Evaluation of designed ligands by a multiple screening method: application to glycogen phosphorylase inhibitors constructed with a variety of approaches. J. Comput.-Aided Mol. Des. 2001, 75(7), 613-47.
-
(2001)
J. Comput.-aided Mol. Des.
, vol.75
, Issue.7
, pp. 613-647
-
-
So, S.S.1
Karplus, M.2
-
33
-
-
0033578087
-
Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: Applications to a set of glucose analogue inhibitors of glycogen phosphorylase
-
Venkatarangan, P.; Hopfinger, A. J. Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: applications to a set of glucose analogue inhibitors of glycogen phosphorylase. J. Med. Chem. 1999, 42(12), 2169-79.
-
(1999)
J. Med. Chem.
, vol.42
, Issue.12
, pp. 2169-2179
-
-
Venkatarangan, P.1
Hopfinger, A.J.2
-
34
-
-
0033045557
-
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors
-
So, S. S.; Karplus, M. A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors. J. Comput.-Aided Mol. Des. 1999, 13(3), 243-58.
-
(1999)
J. Comput.-aided Mol. Des.
, vol.13
, Issue.3
, pp. 243-258
-
-
So, S.S.1
Karplus, M.2
-
35
-
-
0030920575
-
Smart region definition: A new way to improve the predictive ability and interpretability of three-dimensional quantitative structure-activity relationships
-
Pastor, M.; Cruciani, G.; Clementi, S. Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure-activity relationships. J. Med. Chem. 1997, 40(10), 1455-64.
-
(1997)
J. Med. Chem.
, vol.40
, Issue.10
, pp. 1455-1464
-
-
Pastor, M.1
Cruciani, G.2
Clementi, S.3
-
36
-
-
0028101464
-
Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b
-
Cruciani, G.; Watson, K. A. Comparative molecular field analysis using GRID force-field and GOLPE variable selection methods in a study of inhibitors of glycogen phosphorylase b. J. Med. Chem. 1994, 37(16), 2589-601.
-
(1994)
J. Med. Chem.
, vol.37
, Issue.16
, pp. 2589-2601
-
-
Cruciani, G.1
Watson, K.A.2
-
37
-
-
0037633749
-
Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: Human 3-Adrenergic receptor agonist
-
Kashaw, S. K.; Rathi, L.; Mishra, P.; Saxena, A. K. Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: human 3-Adrenergic receptor agonist. Bioorg. Med. Chem. Lett. 2003, 13, 2481-2484.
-
(2003)
Bioorg. Med. Chem. Lett.
, vol.13
, pp. 2481-2484
-
-
Kashaw, S.K.1
Rathi, L.2
Mishra, P.3
Saxena, A.K.4
-
38
-
-
0037401361
-
QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa- hydropyrazino[2′,1′:6,1]pyrido[3,4-b]indoles-a potent class of neuroleptics
-
Saxena, A. K.; Ram, S.; Saxena, M.; Singh, N.; Prathipati, P.; Jain, P. C.; Singh, H. K.; Anand, N. QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa- hydropyrazino[2′,1′:6,1]pyrido[3,4-b]indoles-a potent class of neuroleptics. Bioorg. Med. Chem. 2003, 11, 2085-2090.
-
(2003)
Bioorg. Med. Chem.
, vol.11
, pp. 2085-2090
-
-
Saxena, A.K.1
Ram, S.2
Saxena, M.3
Singh, N.4
Prathipati, P.5
Jain, P.C.6
Singh, H.K.7
Anand, N.8
-
39
-
-
0036979118
-
2D-QSAR in hydroxamic acid derivatives as peptide deformylase inhibitors and antibacterial agents
-
Gupta, M. K.; Mishra, P.; Prathipati, P.; Saxena, A. K. 2D-QSAR in hydroxamic acid derivatives as peptide deformylase inhibitors and antibacterial agents. Bioorg. Med. Chem. 2002, 10, 3713-3716.
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 3713-3716
-
-
Gupta, M.K.1
Mishra, P.2
Prathipati, P.3
Saxena, A.K.4
-
40
-
-
0036978904
-
Development of 3D-QSAR models for 5-Lipoxygenase antagonists: Chalcones
-
Babu, M. K.; Shakya, N.; Prathipati, P.; Kaskhedikar, S. G.; Saxena, A. K. Development of 3D-QSAR models for 5-Lipoxygenase antagonists: chalcones. Bioorg. Med. Chem. 2002, 10, 4035-4041.
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 4035-4041
-
-
Babu, M.K.1
Shakya, N.2
Prathipati, P.3
Kaskhedikar, S.G.4
Saxena, A.K.5
-
41
-
-
0034897586
-
Synthesis and QSAR Studies of 4-Substituted phenyl-2,6-dimethyl-3,5-bis- N-(substituted phenyl) carbamoyl-1-4-dihydropyridines as potential antitubercular agents
-
Desai, B.; Sureja, D.; Naliapara, Y.; Shah, A.; Saxena, A. K. Synthesis and QSAR Studies of 4-Substituted phenyl-2,6-dimethyl-3,5-bis-N-(substituted phenyl) carbamoyl-1-4-dihydropyridines as potential antitubercular agents. Bioorg. Med. Chem. 2001, 9, 1993-1998.
-
(2001)
Bioorg. Med. Chem.
, vol.9
, pp. 1993-1998
-
-
Desai, B.1
Sureja, D.2
Naliapara, Y.3
Shah, A.4
Saxena, A.K.5
-
42
-
-
0034908063
-
Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl) amino-4,5- dihydrothiazole Derivatives as Potential Antithrombotic Agents
-
Saxena, A. K.; Pandey, S. K.; Seth, P.; Singh, M. P.; Dikshit, M.; Carpy. A. Synthesis and QSAR Studies in 2-(N-aryl-N-aroyl) amino-4,5-dihydrothiazole Derivatives as Potential Antithrombotic Agents. Bioorg. Med. Chem. 2001, 9, 2025-2034.
-
(2001)
Bioorg. Med. Chem.
, vol.9
, pp. 2025-2034
-
-
Saxena, A.K.1
Pandey, S.K.2
Seth, P.3
Singh, M.P.4
Dikshit, M.5
Carpy, A.6
-
43
-
-
0034931513
-
Synthesis, molecular modeling and QSAR studies in chiral 2,3-disubstituted-1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indoles as potential modulators of opioid antinociception
-
Saxena, A. K.; Pandey, S. K.; Tripathi, R. C.; Raghubir, R. Synthesis, molecular modeling and QSAR studies in chiral 2,3-disubstituted-1,2,3,4- tetrahydro-9H-pyrido(3,4-b)indoles as potential modulators of opioid antinociception. Bioorg. Med. Chem. 2001, 9, 1559-1570.
-
(2001)
Bioorg. Med. Chem.
, vol.9
, pp. 1559-1570
-
-
Saxena, A.K.1
Pandey, S.K.2
Tripathi, R.C.3
Raghubir, R.4
-
44
-
-
0035087898
-
3-D QSAR studies of triazolinone based balanced AT1/AT2 receptor antagonists
-
Pandya, T.; Pandey, S. K.; Tiwari, M.; Chaturvedi, S. C.; Saxena, A. K. 3-D QSAR studies of triazolinone based balanced AT1/AT2 receptor antagonists. Bioorg. Med. Chem. 2001, 9, 291-300.
-
(2001)
Bioorg. Med. Chem.
, vol.9
, pp. 291-300
-
-
Pandya, T.1
Pandey, S.K.2
Tiwari, M.3
Chaturvedi, S.C.4
Saxena, A.K.5
-
45
-
-
0346040431
-
Pharmacophore identification and 3D-QSAR studies in JV-(2-benzoyl phenyl)-L-tyrosines as PPARy agonists
-
Rathi, L.; Kashaw, S. K.; Dixit, A.; Pandey, G.; Saxena, A. K. Pharmacophore identification and 3D-QSAR studies in JV-(2-benzoyl phenyl)-L-tyrosines as PPARy agonists. Bioorg. Med. Chem. 2004, 12, 63-69.
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 63-69
-
-
Rathi, L.1
Kashaw, S.K.2
Dixit, A.3
Pandey, G.4
Saxena, A.K.5
-
46
-
-
0032993815
-
Scoring functions: A view from the bench
-
Tame J. R. H. Scoring functions: A view from the bench. J. Comput.-Aided Mol. Des. 1999, 13, 99-108.
-
(1999)
J. Comput.-aided Mol. Des.
, vol.13
, pp. 99-108
-
-
Tame, J.R.H.1
-
47
-
-
0034597622
-
Calculation and prediction of binding free energies for the matrix metalloproteinases
-
Donini O. A. T.; Kollman P. A. Calculation and prediction of binding free energies for the matrix metalloproteinases. J Med. Chem. 2000, 43, 4180-4188.
-
(2000)
J Med. Chem.
, vol.43
, pp. 4180-4188
-
-
Donini, O.A.T.1
Kollman, P.A.2
-
48
-
-
0023751431
-
-
Cramer, R. D.; Patterson, D. E.; Bunce, J. D. J. Am. Chem. Soc. 1988, 110, 5959-5967.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5959-5967
-
-
Cramer, R.D.1
Patterson, D.E.2
Bunce, J.D.3
-
49
-
-
0003476917
-
-
ESCOM Science Publishers B.V.: Leiden
-
3D QSAR in Drug Design, Theory, Methods, and Applications; Kubyini, H., Ed.; ESCOM Science Publishers B.V.: Leiden, 1993.
-
(1993)
3D QSAR in Drug Design, Theory, Methods, and Applications
-
-
Kubyini, H.1
-
50
-
-
0242364382
-
The Alignment problem in 3D-QSAR: A combined approach using Catalyst and a 3D-QSAR technique
-
Sanz, F., Giraldo, J., Manaut, F., Eds.; Prous Science Publishers: Barcelona
-
Norinder, U. The Alignment problem in 3D-QSAR: A combined approach using Catalyst and a 3D-QSAR technique. QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications; Sanz, F., Giraldo, J., Manaut, F., Eds.; Prous Science Publishers: Barcelona, 1995; pp 433-438.
-
(1995)
QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications
, pp. 433-438
-
-
Norinder, U.1
-
51
-
-
0005279591
-
Use of the Catalyst program as a new alignment tool for 3D-QSAR
-
Sanz, F., Giraldo, J., Manaut, F., Eds.; Prous Science Publishers: Barcelona
-
Hoffmann, R. D.; Langer, T. Use of the Catalyst program as a new alignment tool for 3D-QSAR. QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications; Sanz, F., Giraldo, J., Manaut, F., Eds.; Prous Science Publishers: Barcelona, 1995; pp 466-469.
-
(1995)
QSAR and Molecular Modelling: Concepts, Computational Tools and Biological Applications
, pp. 466-469
-
-
Hoffmann, R.D.1
Langer, T.2
-
53
-
-
0001236393
-
On the use of chemical function-based alignments as input for 3D-QSAR
-
Langer, T.; Hoffmann, R. D. On the Use of Chemical Function-Based Alignments as Input for 3D-QSAR. J. Chem. Inf. Comput. Sci. 1998, 38, 325-330.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 325-330
-
-
Langer, T.1
Hoffmann, R.D.2
-
54
-
-
0035324942
-
Association of two 3D QSAR analyses. Application to the study of partial agonist serotonin-3 ligands
-
Bureau, R.; Daveu, C.; Baglin, I.; Sopkova-De Oliveira Santos, J.; Lancelot, J. C.; Rault, S. Association of Two 3D QSAR Analyses. Application to the Study of Partial Agonist Serotonin-3 Ligands, J. Chem. Inf. Comput. Sci. 2001, 41, 815-823.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 815-823
-
-
Bureau, R.1
Daveu, C.2
Baglin, I.3
Sopkova-De Oliveira Santos, J.4
Lancelot, J.C.5
Rault, S.6
-
55
-
-
0035385131
-
3D QSAR analyses of novel tyrosine kinase inhibitors based on pharmacophore alignment
-
Zhu, L. L.; Hou, T. J.; Chen, L. R.; Xu, X. J. 3D QSAR Analyses of Novel Tyrosine Kinase Inhibitors Based on Pharmacophore Alignment. J. Chem. Inf. Comput. Sci. 2001, 41, 1032-1040.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1032-1040
-
-
Zhu, L.L.1
Hou, T.J.2
Chen, L.R.3
Xu, X.J.4
-
56
-
-
0027944195
-
Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
-
Klebe, G.; Abraham, U.; Mietzner, T. Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity. J. Med. Chem. 1994, 37, 4130-4146.
-
J. Med. Chem. 1994, 37, 4130-4146.
-
-
Klebe, G.1
Abraham, U.2
Mietzner, T.3
-
57
-
-
0024716284
-
Atomic physicochemical parameters for three-dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
-
Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R.; Robins, R. K. Atomic Physicochemical Parameters for Three-Dimensional Structure Directed Quantitative Structure-Activity Relationships. 4. Additional Parameters for Hydrophobic and Dispersive Interactions and Their Application for an Automated Superposition of Certain Naturally Occurring Nucleoside Antibiotics. J. Chem. Inf. Comput. Sci. 1989, 29, 163-172.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 163-172
-
-
Viswanadhan, V.N.1
Ghose, A.K.2
Revankar, G.R.3
Robins, R.K.4
-
58
-
-
0037402105
-
Pharmacophore-based molecular docking to account for ligand flexibility
-
Joseph-McCarthy, D.; Thomas, B. E., IV; Belmarsh, M.; Moustakas, D.; Alvarez, J. C. Pharmacophore-Based Molecular Docking to Account for Ligand Flexibility. Proteins: Struct., Fund., Genet. 2003, 51, 172-188.
-
(2003)
Proteins: Struct., Fund., Genet.
, vol.51
, pp. 172-188
-
-
Joseph-McCarthy, D.1
Thomas IV, B.E.2
Belmarsh, M.3
Moustakas, D.4
Alvarez, J.C.5
-
60
-
-
0027027467
-
LUDI; rule-based automatic design of new substituents for enzyme inhibitor leads
-
(b) Bohm, H. J. LUDI; rule-based automatic design of new substituents for enzyme inhibitor leads. J. Comput.-Aided Mol. Des. 1992, 6, 593-606.
-
(1992)
J. Comput.-aided Mol. Des.
, vol.6
, pp. 593-606
-
-
Bohm, H.J.1
-
61
-
-
0037763817
-
Comparative evaluation of 11 scoring functions for molecular docking
-
Wang, R.; Lu, Y.; Wang, S. Comparative evaluation of 11 scoring functions for molecular docking. J. Med. Chem. 2003, 46, 2287-303.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 2287-2303
-
-
Wang, R.1
Lu, Y.2
Wang, S.3
-
63
-
-
0036773944
-
Three-dimensional common-feature hypotheses for octopamine agonist arylethanolamines
-
Hirashim, A.; Morimoto, M.; Kuwano, E.; Taniguchi, E.; Eto, M. Three-dimensional common-feature hypotheses for octopamine agonist arylethanolamines. J. Mot. Graphics Modell. 2002, 21, 81-7.
-
(2002)
J. Mot. Graphics Modell.
, vol.21
, pp. 81-87
-
-
Hirashim, A.1
Morimoto, M.2
Kuwano, E.3
Taniguchi, E.4
Eto, M.5
-
65
-
-
0002555784
-
The multivariate calibration problem in chemistry solved by the PLS method
-
1983. Proc. Conf. Matrix Pencils, ; Ruhe, A., Kågström, B., Eds.; Springer-Verlag: Heidelberg
-
Wold, S.; Martens, H.; Wold, H. 1983. The Multivariate Calibration Problem in Chemistry solved by the PLS Method. Proc. Conf. Matrix Pencils, Lecture Notes in Mathematics 973; Ruhe, A., Kågström, B., Eds.; Springer-Verlag: Heidelberg, 1982; pp 286-293.
-
(1982)
Lecture Notes in Mathematics
, vol.973
, pp. 286-293
-
-
Wold, S.1
Martens, H.2
Wold, H.3
-
66
-
-
84951601886
-
Cross validatory estimation of the number of components in factor and principal components models
-
Wold, S. Cross validatory estimation of the number of components in factor and principal components models. Technometrics 1978, 20, p 397.
-
(1978)
Technometrics
, vol.20
, pp. 397
-
-
Wold, S.1
-
67
-
-
0344121835
-
Comparison of MLR, PLS and GA-MLR in QSAR analysis
-
Saxena A. K.; Prathipati P. Comparison of MLR, PLS and GA-MLR in QSAR analysis. SAR QSAR Environ. Res. 2003, 14, 433-446.
-
(2003)
SAR QSAR Environ. Res.
, vol.14
, pp. 433-446
-
-
Saxena, A.K.1
Prathipati, P.2
-
70
-
-
0026696669
-
Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surfaces: Validation of a high-resolution tool for drug design
-
Bohacek, R. S.; McMartin, C. Definition and Display of Steric, Hydrophobic, and Hydrogen-Bonding Properties of Ligand Binding Sites in Proteins Using Lee and Richards Accessible Surfaces: Validation of a High-Resolution Tool for Drug Design. J. Med. Chem. 1992, 35, 1671-1684.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 1671-1684
-
-
Bohacek, R.S.1
McMartin, C.2
-
71
-
-
0029315602
-
Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency
-
Kroemer, R. T.; Hecht, P. Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency. J. Comput.-Aided Mol. Des. 1995, 9, 205-212.
-
(1995)
J. Comput.-aided Mol. Des.
, vol.9
, pp. 205-212
-
-
Kroemer, R.T.1
Hecht, P.2
|