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Journal of Medicinal Chemistry

Volumn 43, Issue 22, 2000, Pages 4098-4108

3D-QSAR CoMFA on cyclin-dependent kinase inhibitors

(3) Ducrot, P a Legraverend, M a Grierson, D S a

a CNRS (France)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIN DEPENDENT KINASE; CYCLIN DEPENDENT KINASE 2; CYCLIN DEPENDENT KINASE 4; CYCLIN DEPENDENT KINASE INHIBITOR;

ANALYTIC METHOD; ARTICLE; BINDING SITE; DRUG STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS;

ADENOSINE TRIPHOSPHATE; BINDING SITES; CDC2 PROTEIN KINASE; CDC2-CDC28 KINASES; COMBINATORIAL CHEMISTRY TECHNIQUES; CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASE 2; CYCLIN-DEPENDENT KINASES; ENZYME INHIBITORS; MODELS, MOLECULAR; PROTEIN-SERINE-THREONINE KINASES; PURINES; REPRODUCIBILITY OF RESULTS;

EID: 0034597580 PISSN: 00222623 EISSN: None Source Type: Journal
DOI: 10.1021/jm000965t Document Type: Article

Times cited : (41)

References (37)

1
- 0028931265
- Principles of CDK regulation
- (1995) Nature , vol.374 , pp. 131-134
- Morgan, D.O.¹

2
- 0031466305
- Cyclin-dependent kinases: Engines, clocks, and microprocessors
- (1997) Annu. Rev. Cell Dev. Biol. , vol.13 , pp. 261-291
- Morgan, D.¹

3
- 0344809977
- ATP-site directed inhibitors of cyclin-dependent kinases
- (1999) Curr. Med. Chem. , vol.6 , pp. 859-875
- Gray, N.¹ Detivaud, L.² Doerig, C.³ Meijer, L.⁴

4
- 0034642532
- Cyclin-dependent kinase inhibitors: Useful targets in cell cycle regulation
- (2000) J. Med. Chem. , vol.43 , pp. 1-18
- Sielecki, T.M.¹ Boylan, J.F.² Benfield, P.A.³ Trainor, G.L.⁴

5
- 0033150476
- Synthesis and application of functionally diverse 2,6,9-trisubstituted purine libraries as CDK inhibitors
- (1999) Chem. Biol. , vol.6 , pp. 361-375
- Chang, Y.-T.¹ Gray, N.S.² Rosania, G.R.³ Sutherlin, D.P.⁴ Kwon, S.⁵ Norman, T.C.⁶ Sarohia, R.⁷ Leost, M.⁸ Meijer, L.⁹ Schultz, P.G.¹⁰

6
- 0031028163
- Inhibition of cyclin-dependent kinases by purine analogues - Crystal structure of human cdk2 complexed with roscovitine
- (1997) Eur. J. Biochem. , vol.243 , pp. 518-526
- De Azevedo, W.F.¹ Leclerc, S.² Meijer, L.³ Havlicek, L.⁴ Strnad, M.⁵ Kim, S.H.⁶

7
- 0032918488
- 2,6,9-Trisubstituted purines: Optimization towards highly potent and selective CDK1 inhibitors
- (1999) Bioorg. Med. Chem. Lett. , vol.9 , pp. 91-96
- Imbach, P.¹ Capraro, H.G.² Furet, P.³ Mett, H.⁴ Meyer, T.⁵ Zimmermann, J.⁶

8
- 0033128165
- Indirubin, the active constituent of a Chinese antileukeamia medicine, inhibits cyclin-dependent kinases
- (1999) Nat. Cell Biol. , vol.1 , pp. 60-67
- Hoessel, R.¹ Leclerc, S.² Endicott, J.³ Noble, M.⁴ Lawrie, A.⁵ Tunnah, P.⁶ Leost, M.⁷ Damiens, E.⁸ Marie, D.⁹ Marko, D.¹⁰ Niederberger, E.¹¹ Tang, W.¹² Eisenbrand, G.¹³ Meijer, L.¹⁴

9
- 0033614949
- Paullones, a series of cyclin-dependent kinase inhibitors: Synthesis, evaluation of CDK1/cyclin B inhibition, and in vitro antitumor activity
- (1999) J. Med. Chem. , vol.42 , pp. 2909-2919
- Schultz, C.¹ Link, A.² Leost, M.³ Zaharevitz, D.W.⁴ Gussio, R.⁵ Sausville, E.A.⁶ Meijer, L.⁷ Kunick, C.⁸

10
- 0033554061
- Characterization of novel inhibitors of cyclin-dependent kinases
- (1999) Biochem. Biophys. Res. Commun. , vol.260 , pp. 768-774
- Kent, L.L.¹ Hull Campbell, N.E.² Lau, T.³ Wu, J.C.⁴ Thompson, S.A.⁵ Nori, M.⁶

11
- 0031729682
- Alterations in cyclin-dependent protein kinase 5 (CDK5) protein levels, activity and immunocytochemistry in canine motor neuron disease
- (1998) J. Neuropathol. Exp. Neurol. , vol.57 , pp. 1070-1077
- Green, S.L.¹ Vulliet, P.R.² Pinter, M.J.³ Cork, L.C.⁴

12
- 0027182223
- Crystal structure of cyclin-dependent kinase 2
- (1993) Nature , vol.363 , pp. 595-602
- De Bondt, H.L.¹ Rosenblatt, J.² Jancarik, J.³ Jones, H.D.⁴ Morgan, D.O.⁵ Kim, S.-H.⁶

13
- 0029090514
- Multiple modes of ligand recognition: Crystal structures of cyclin-dependent protein kinase 2 in complex with ATP and two inhibitors, olomoucine and isopentenyladenine
- (1995) Proteins Struct. Funct. Genet. , vol.22 , pp. 378-391
- Schulze-Gahmen, U.¹ Brandsen, J.² Jones, H.D.³ Morgan, D.O.⁴ Meijer, L.⁵ Vesely, J.⁶ Kim, S.-H.⁷

14
- 0031253655
- Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2
- (1997) Nat. Struct. Biol. , vol.4 , pp. 796-801
- Lawrie, A.M.¹ Noble, M.E.M.² Tunnah, P.³ Brown, N.R.⁴ Johnson, L.N.⁵ Endicott, J.A.⁶

15
- 0029993339
- Structural basis for specificity and potency of a flavonoid inhibitor of human CDK2, a cell cycle kinase
- (1996) Proc. Natl. Acad. Sci. U.S.A. , vol.93 , pp. 2735-2740
- De Azevedo, W.F.¹ Mueller-Dieckmann, H.-J.² Schulze-Gahmen, U.³ Worland, P.J.⁴ Sausville, E.⁵ Kim, S.-H.⁶

16
- 0032563315
- Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors
- (1998) Science , vol.281 , pp. 533-538
- Gray, N.S.¹ Wodicka, L.² Thunnissen, A.M.W.H.³ Norman, T.C.⁴ Kwon, S.J.⁵ Espinoza, F.H.⁶ Morgan, D.O.⁷ Barnes, G.⁸ LeClerc, S.⁹ Meijer, L.¹⁰ Kim, S.H.¹¹ Lockhart, D.J.¹² Schultz, P.G.¹³

17
- 0029029617
- Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex
- (1995) Nature , vol.376 , pp. 313-320
- Jeffrey, P.D.¹ Russo, A.A.² Polyak, K.³ Gibbs, E.⁴ Hurwitz, J.⁵ Massague, J.⁶ Pavletich, N.P.⁷

18
- 0029665852
- Crystal structure of the p27(Kip1) cyclin-dependent-kinase inhibitor bound to the cyclin A-Cdk2 complex
- (1996) Nature , vol.382 , pp. 325-331
- Russo, A.A.¹ Jeffrey, P.D.² Patten, A.K.³ Massague, J.⁴ Pavletich, N.P.⁵

19
- 0032492705
- Synthesis of C2 alkynylated purines, a new family of potent inhibitors of cyclin-dependent kinases
- (1998) Bioorg. Med. Chem. Lett. , vol.8 , pp. 793-798
- Legraverend, M.¹ Ludwig, O.² Bisagni, E.³ Leclerc, S.⁴ Meijer, L.⁵

20
- 0033041709
- Synthesis and in vitro evaluation of novel 2,6,9-trisubstituted purines as cyclin-dependent kinases inhibitors
- (1999) Bioorg. Med. Chem. , vol.7 , pp. 1281-1293
- Legraverend, M.¹ Ludwig, O.² Bisagni, E.³ Leclerc, S.⁴ Meijer, L.⁵ Giocanti, N.⁶ Sadri, R.⁷ Favaudon, V.⁸

21
- 0034611620
- Cyclin-dependent kinase inhibition by C-2 alkynylated purine deritives and molecular structure of a CDK2-inhibitor complex
- (2000) J. Med. Chem. , vol.43 , pp. 1282-1292
- Legraverend, M.¹ Tunnah, P.² Noble, M.³ Ducrot, P.⁴ Ludwig, O.⁵ Grierson, D.S.⁶ Leost, M.⁷ Meijer, L.⁸ Endicott, J.⁹

22
- 0007159721
- Synthesis of a new series of purine derivatives and their anti-cyclin-dependent kinase activities
- in press
- (2000) J. Heterocycl. Chem.
- Legraverend, M.¹ Ludwig, O.² Leclerc, S.³ Meijer, L.⁴

23
- 0004301669
- Tripos Associates Ltd.: St. Louis, MO
- (1992) Sybyl, 6.3 ed.; SYBYL molecular modeling software

24
- 0023751431
- Comparative molecular field analysis (CoMFA) 1. Effect of shape on binding of steroids to carrier proteins
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
- Cramer III, R.D.¹ Patterson, D.E.² Bunce, J.D.³

25
- 0027944195
- Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
- (1994) J. Med. Chem. , vol.37 , pp. 4130-4146
- Klebe, G.¹ Abraham, U.² Mietzner, T.³

26
- 0033022163
- Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries
- (1999) J. Comput.-Aid. Mol. Des. , vol.13 , pp. 1-10
- Klebe, G.¹ Abraham, U.²

27
- 84988115618
- Validation of the general purpose Tripos 5.2 force field
- (1989) J. Comput. Chem. , vol.10 , pp. 982-1012
- Clark, M.¹ Cramer III, R.D.² Van Opdenbosch, N.³

28
- 0041446875
- Comparative molecular field analysis (CoMFA). 2. Towards its use with 3D-structural databases
- (1990) Tetrahedron Comput. Methods , vol.3 , pp. 47-59
- Clark, M.¹ Cramer III, R.D.² Jones, D.M.³ Patterson, D.E.⁴ Simeroth, P.E.⁵

29
- 0025390935
- MOPAC: A semiempirical molecular orbital program
- (1990) J. Comput.-Aid. Mol. Des. , vol.4 , pp. 1-103
- Stewart, J.J.P.¹

30
- 0002194587
- Chemometrics: Mathematics and Statistics in Chemistry; Kowalski, B., Ed.; Reidel: Dortrecht, The Netherlands
- (1984) , pp. 17-95
- Wold, S.¹ Albano, C.² Dunn, W.J.³ Edlund, U.⁴ Esbenson, K.⁵ Geladi, P.⁶ Hellberg, S.⁷ Lindberg, W.⁸ Sjostrom, M.⁹

31
- 0021733924
- Multivariate structure-activity relationship between data from a battery of biological tests and an ensemble of structure descriptors: The PLS methodology
- (1984) Quant. Struct.-Act. Relat. Chem. Biol. , vol.3 , pp. 31-137
- Dunn, W.J.¹ Wold, S.² Edlund, U.³ Hellberg, S.⁴ Gasteiger, J.⁵

32
- 85152373811
- Notes on the history and nature of partial least squares (PLS) modelling
- (1988) J. Chemom. , vol.2 , pp. 231-246
- Geladi, P.¹

33
- 84951601886
- Cross-validatory estimation of the number of component in factor and principal component models
- (1978) Technometrics , vol.4 , pp. 397-405
- Wold, S.¹

34
- 0000484080
- Computer-intensive methods for statistics
- (1984) Sci. Am. , vol.116 , pp. 96-117
- Diaconis, P.¹ Efron, B.²

35
- 84987100711
- Crossvalidation, bootstrapping and partial least squares compared with multiple regression in conventional QSAR studies
- (1988) Quant. Struct.-Act. Relat. , vol.7 , pp. 18-25
- Cramer III, R.D.¹ Bunce, J.D.² Patterson, D.E.³

36
- 0007302624
- note

37
- 0007300924
- Patent WO 97/716452
- (1997) Purine derivatives and processes for their preparation
- Zimmerman, J.¹ Capraro, H.G.² Peterli, P.³ Furet, P.⁴

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