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Volumn 31, Issue 9, 2012, Pages 659-668

Structural basis of amino pyrimidine derivatives for inhibitory activity of PKC-θ: 3D-QSAR and molecular docking studies

(3) Silakari, Om a Chand, Sukhvir a Bahia, Malkeet Singh a

a PUNJABI UNIVERSITY (India)

Author keywords

3D QSAR; Amino pyridine inhibitors; Docking; Inflammation, PKC

Indexed keywords

AROMATIC COMPOUNDS; BINDING ENERGY; COMPUTATIONAL CHEMISTRY; RELIABILITY ANALYSIS;

3D-QSAR; AMINO PYRIDINE INHIBITOR; DOCKING; DOCKING STUDIES; INFLAMMATION, PKC-Θ; INHIBITORY ACTIVITY; MOLECULAR DOCKING; PYRIMIDINE DERIVATIVES; QSAR MODEL; STRUCTURAL BASIS;

MOLECULES;

PROTEIN KINASE C INHIBITOR; PROTEIN KINASE C THETA; PYRIMIDINE DERIVATIVE;

ARTICLE; DRUG DESIGN; DRUG POTENCY; DRUG PROTEIN BINDING; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION; VALIDATION PROCESS;

EID: 84866392207 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201100123 Document Type: Article

Times cited : (16)

References (33)

1
- 47949099098
- R. Medzhitov, Nature 2008, 454, 428-435.
- (2008) Nature , vol.454 , pp. 428-435
- Medzhitov, R.¹

2
- 77950345093
- R. Medzhitov, Cell 2010, 140, 771-776
- (2010) Cell , vol.140 , pp. 771-776
- Medzhitov, R.¹

3
- 85161747747
- 140- 146.
- R. P. Libby, Nutr. Rev. 2007, 65, 140- 146.
- (2007) Nutr. Rev. , pp. 65
- Libby, R.P.¹

4
- 30044449982
- C. N. Serhan, J. Savill, Nature Immunol. 2005, 6, 1191-1197.
- (2005) Nature Immunol. , vol.6 , pp. 1191-1197
- Serhan, C.N.¹ Savill, J.²

5
- 77955180125
- N. Shun-ichi, Y. Hirohei, Y. Nishizuka, J. Biochem. 2010, 148, 125-130.
- (2010) J. Biochem. , vol.148 , pp. 125-130
- Shun-Ichi, N.¹ Hirohei, Y.² Nishizuka, Y.³

6
- 0025354343
- A. Farago, Y. Nishizuka, FEBS Lett. 1990, 268, 350-354.
- (1990) FEBS Lett. , vol.268 , pp. 350-354
- Farago, A.¹ Nishizuka, Y.²

7
- 0023052241
- Y. Nishizuka, Science 1986, 233, 305-312.
- (1986) Science , vol.233 , pp. 305-312
- Nishizuka, Y.¹

8
- 0032104245
- H. Mellor, P. J. Parker, Biochem. J. 1998, 332, 281-292.
- (1998) Biochem. J. , vol.332 , pp. 281-292
- Mellor, H.¹ Parker, P.J.²

9
- 0031012266
- C. R.F. Monks, H. Kupfer, I. Tamir, A. Barlow, A. Kupfer, Nature 1997, 385, 83-86.
- (1997) Nature , vol.385 , pp. 83-86
- Monks, C.R.F.¹ Kupfer, H.² Tamir, I.³ Barlow, A.⁴ Kupfer, A.⁵

10
- 33750036982
- K. Anderson, M. Fitzgerald, M. Dupont, T. Wang, N. Paz, M. Dorsch, A. Healy, Y. Xu, T. Ocain, L. Schopf, B. Jaffee, D. Picarella, Autoimmunity 2006, 39, 469-478.
- (2006) Autoimmunity , vol.39 , pp. 469-478
- Anderson, K.¹ Fitzgerald, M.² Dupont, M.³ Wang, T.⁴ Paz, N.⁵ Dorsch, M.⁶ Healy, A.⁷ Xu, Y.⁸ Ocain, T.⁹ Schopf, L.¹⁰ Jaffee, B.¹¹ Picarella, D.¹²

11
- 84866391105
- C. DeClercq, D. Demers, A. Bree, S. Fish, S. Q. Wei, A. Brennan, M. Kasaian, J. Chen, D. Wang, D. Boschelli, D. Chaudhary, C. Williams, J. Immunol. 2009, 182, 140.21.
- (2009) J. Immunol. , vol.182 , pp. 140-121
- Declercq, C.¹ Demers, D.² Bree, A.³ Fish, S.⁴ Wei, S.Q.⁵ Brennan, A.⁶ Kasaian, M.⁷ Chen, J.⁸ Wang, D.⁹ Boschelli, D.¹⁰ Chaudhary, D.¹¹ Williams, C.¹²

12
- 33845671162
- C. L. Cywin, G. Dahmann, A. S. Prokopowicz, E. R.R. Young, R. L. Magolda, M. G. Cardozo, D. A. Cogan, D. DiSalvo, J. D. Ginn, M. A. Kashem, J. P. Wolak, C. A. Homon, T. M. Farrell, H. Grbic, H. Hu, P. V. Kaplita, L. H. Liu, D. M. Spero, D. D. Jeanfavre, K. M. O'Shea, D. M. White, J. R. Woska, M. L. Brown, Bioorg. Med. Chem. Lett. 2007, 17, 225-230
- (2007) Bioorg. Med. Chem. Lett. , vol.17 , pp. 225-230
- Cywin, C.L.¹ Dahmann, G.² Prokopowicz, A.S.³ Young, E.R.R.⁴ Magolda, R.L.⁵ Cardozo, M.G.⁶ Cogan, D.A.⁷ Disalvo, D.⁸ Ginn, J.D.⁹ Kashem, M.A.¹⁰ Wolak, J.P.¹¹ Homon, C.A.¹² Farrell, T.M.¹³ Grbic, H.¹⁴ Hu, H.¹⁵ Kaplita, P.V.¹⁶ Liu, L.H.¹⁷ Spero, D.M.¹⁸ Jeanfavre, D.D.¹⁹ O'Shea, K.M.²⁰ more..

13
- 58849108460
- B. Wu, D. H. Boschelli, J. Lee, X. Yang, D. Chaudhary, Bioorg. Med. Chem. Lett. 2009, 19, 766-769.
- (2009) Bioorg. Med. Chem. Lett. , vol.19 , pp. 766-769
- Wu, B.¹ Boschelli, D.H.² Lee, J.³ Yang, X.⁴ Chaudhary, D.⁵

14
- 47949099851
- L. N. Tumey, D. H. Boschelli, J. Lee, D. Chaudhary, Bioorg. Med. Chem. Lett. 2008, 18, 4420-4423.
- (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 4420-4423
- Tumey, L.N.¹ Boschelli, D.H.² Lee, J.³ Chaudhary, D.⁴

15
- 43049117195
- D. H. Boschelli, B. Wu, A. C.B. Sosa, J. Chen, M. Asselin, D. C. Cole, J. Lee, X. Yang, D. Chaudhary, Bioorg. Med. Chem. 2008, 18, 2850-2853.
- (2008) Bioorg. Med. Chem. , vol.18 , pp. 2850-2853
- Boschelli, D.H.¹ Wu, B.² Sosa, A.C.B.³ Chen, J.⁴ Asselin, M.⁵ Cole, D.C.⁶ Lee, J.⁷ Yang, X.⁸ Chaudhary, D.⁹

16
- 72149119244
- L. N. Tumey, N. Bhagirath, A. Brennan, N. Brooijmans, J. Lee, X. Yang, D. H. Boschelli, Bioorg. Med. Chem. 2009, 17, 7933-7948.
- (2009) Bioorg. Med. Chem. , vol.17 , pp. 7933-7948
- Tumey, L.N.¹ Bhagirath, N.² Brennan, A.³ Brooijmans, N.⁴ Lee, J.⁵ Yang, X.⁶ Boschelli, D.H.⁷

17
- 64549155675
- R. G. Dushin, T. Nittoli, C. Ingalls, D. H. Boschelli, D. C. Cole, A. Wissner, J. Lee, X. Yang, P. Morgan, A. Brennan, D. Chaudhary, Bioorg. Med. Chem. Lett. 2009, 19, 2461-2463.
- (2009) Bioorg. Med. Chem. Lett. , vol.19 , pp. 2461-2463
- Dushin, R.G.¹ Nittoli, T.² Ingalls, C.³ Boschelli, D.H.⁴ Cole, D.C.⁵ Wissner, A.⁶ Lee, J.⁷ Yang, X.⁸ Morgan, P.⁹ Brennan, A.¹⁰ Chaudhary, D.¹¹

18
- 77649188232
- D. H. Boschelli, J. Subrath, C. Niu, B. Wu, Y. Wang, J. Lee, A. Brennan, M. Ho, B. Deng, X. Yang, X. Xu, L. Leung, J. Wang, J. Atherton, D. Chaudhary, Bioorg. Med. Chem. Lett. 2010, 20, 1965-1968.
- (2010) Bioorg. Med. Chem. Lett. , vol.20 , pp. 1965-1968
- Boschelli, D.H.¹ Subrath, J.² Niu, C.³ Wu, B.⁴ Wang, Y.⁵ Lee, J.⁶ Brennan, A.⁷ Ho, M.⁸ Deng, B.⁹ Yang, X.¹⁰ Xu, X.¹¹ Leung, L.¹² Wang, J.¹³ Atherton, J.¹⁴ Chaudhary, D.¹⁵

19
- 51349152055
- H. Skvara, M. Dawid, E. Kleyn, B. Wolff, J. G. Meingassner, H. Knight, T. Dumortier, T. Kopp, N. Fallahi, G. Stary, C. Burkhart, O. Grenet, J. Wagner, Y. Hijazi, R. E. Morris, C. McGeown, C. Rordorf, C. E.M. Griffiths, G. Stingl, T. J. Jung, J. Clin. Invest. 2008, 118, 3151-3159.
- (2008) J. Clin. Invest. , vol.118 , pp. 3151-3159
- Skvara, H.¹ Dawid, M.² Kleyn, E.³ Wolff, B.⁴ Meingassner, J.G.⁵ Knight, H.⁶ Dumortier, T.⁷ Kopp, T.⁸ Fallahi, N.⁹ Stary, G.¹⁰ Burkhart, C.¹¹ Grenet, O.¹² Wagner, J.¹³ Hijazi, Y.¹⁴ Morris, R.E.¹⁵ McGeown, C.¹⁶ Rordorf, C.¹⁷ Griffiths, C.E.M.¹⁸ Stingl, G.¹⁹ Jung, T.J.²⁰ more..

20
- 18844478996
- D. Fabbro, S. Ruetz, S. Bodis, M. Pruschy, K. Csermak, A. Man, P. Campochiaro, J. Wood, T. O'Reilly, T. Meyer, Anti Cancer Drug Des. 2000, 15, 17-28.
- (2000) Anti Cancer Drug Des. , vol.15 , pp. 17-28
- Fabbro, D.¹ Ruetz, S.² Bodis, S.³ Pruschy, M.⁴ Csermak, K.⁵ Man, A.⁶ Campochiaro, P.⁷ Wood, J.⁸ O'Reilly, T.⁹ Meyer, T.¹⁰

21
- 34347376741
- L. A. Sorbera, N. Serradell, J. Bolos, E. Rosa, Drugs Future 2007, 32, 297.
- (2007) Drugs Future , vol.32 , pp. 297
- Sorbera, L.A.¹ Serradell, N.² Bolos, J.³ Rosa, E.⁴

22
- 33750107468
- C. A. Taulien, S. V. Joy, Drugs Today 2006, 42, 577-585.
- (2006) Drugs Today , vol.42 , pp. 577-585
- Taulien, C.A.¹ Joy, S.V.²

23
- 85161757884
- Schrödinger, LLC, New York, NY
- Maestro, Versiona 9.1, Schrödinger, LLC, New York, NY, 2010.
- (2010) Maestro, Versiona 9.1

24
- 85161727071
- Schrödinger, LLC, New York, NY
- ConfGen, Versiona 2.2, Schrödinger, LLC, New York, NY, 2010.
- (2010) ConfGen, Versiona 2.2

25
- 77951987154
- K. S. Watts, P. Dalal, R. B. Murphy, W. Sherman, R. A. Friesner, J. C. Shelley, J. Chem. Inf. Model. 2010, 50, 534-546.
- (2010) J. Chem. Inf. Model. , vol.50 , pp. 534-546
- Watts, K.S.¹ Dalal, P.² Murphy, R.B.³ Sherman, W.⁴ Friesner, R.A.⁵ Shelley, J.C.⁶

26
- 80052561956
- Schrödinger, LLC, New York, NY
- Glide, Versiona 5.6, Schrödinger, LLC, New York, NY, 2010.
- (2010) Glide, Versiona 5.6

27
- 12144289984
- R. A. Friesner, J. Banks, R. B. Murphy, T. A. Halgren, J. J. Klicic, D. T. Mainz, M. P. Repasky, E. H. Knoll, D. E. Shaw, M. Shelley, J. K. Perry, P. Francis, P. S. Shenkin, J. Med. Chem. 2004, 47, 1739-1749.
- (2004) J. Med. Chem. , vol.47 , pp. 1739-1749
- Friesner, R.A.¹ Banks, J.² Murphy, R.B.³ Halgren, T.A.⁴ Klicic, J.J.⁵ Mainz, D.T.⁶ Repasky, M.P.⁷ Knoll, E.H.⁸ Shaw, D.E.⁹ Shelley, M.¹⁰ Perry, J.K.¹¹ Francis, P.¹² Shenkin, P.S.¹³

28
- 9644264028
- Z. B. Xu, D. Chaudhary, S. Olland, S. Wolfrom, R. Czerwinski, K. Malakian, L. Lin, M. L. Stahl, D. Joseph-McCarthy, C. Benander, L. Fitz, R. Greco, W. S. Somers, L. Mosyak, J. Biol. Chem. 2004, 279, 50401-50409.
- (2004) J. Biol. Chem. , vol.279 , pp. 50401-50409
- Xu, Z.B.¹ Chaudhary, D.² Olland, S.³ Wolfrom, S.⁴ Czerwinski, R.⁵ Malakian, K.⁶ Lin, L.⁷ Stahl, M.L.⁸ Joseph-Mccarthy, D.⁹ Benander, C.¹⁰ Fitz, L.¹¹ Greco, R.¹² Somers, W.S.¹³ Mosyak, L.¹⁴

29
- 85161766951
- Schrödinger, LLC, New York, NY
- Phase, Versiona 3.2, Schrödinger, LLC, New York, NY, 2010.
- (2010) Phase, Versiona 3.2

30
- 33845868822
- S. L. Dixon, A. M. Smondyrev, E. H. Knoll, S. N. Rao, D. E. Shaw, R. A. Friesner, J. Comput. Aided Mol. Des. 2006, 20, 647-671.
- (2006) J. Comput. Aided Mol. Des. , vol.20 , pp. 647-671
- Dixon, S.L.¹ Smondyrev, A.M.² Knoll, E.H.³ Rao, S.N.⁴ Shaw, D.E.⁵ Friesner, R.A.⁶

31
- 11144325691
- P. Geladi, B. Kowalski, Anal. Chim. Acta 1986, 185, 1-17.
- (1986) Anal. Chim. Acta , vol.185 , pp. 1-17
- Geladi, P.¹ Kowalski, B.²

32
- 0036006911
- A. Golbraikh, A. Tropsha, J. Mol. Graph. Model. 2002, 20, 269-276.
- (2002) J. Mol. Graph. Model. , vol.20 , pp. 269-276
- Golbraikh, A.¹ Tropsha, A.²

33
- 78651459709
- M. S. Bahia, S. K. Gunda, S. R. Gade, S. Mahmood, R. Muttineni, O. Silakari, J. Mol. Model. 2011, 17, 9-19.
- (2011) J. Mol. Model. , vol.17 , pp. 9-19
- Bahia, M.S.¹ Gunda, S.K.² Gade, S.R.³ Mahmood, S.⁴ Muttineni, R.⁵ Silakari, O.⁶

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