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Volumn 3, Issue 2, 2012, Pages 167-173

Binding free energy calculations and biological testing of novel thiobarbiturates as inhibitors of the human NAD + dependent histone deacetylase Sirt2

(7) Uciechowska, Urszula a Schemies, Jörg b Scharfe, Michael a Lawson, Michael a Wichapong, Kanin a Jung, Manfred b Sippl, Wolfgang a

a MARTIN LUTHER UNIVERSITY HALLE WITTENBERG (Germany)

b UNIVERSITY OF FREIBURG (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

SIRTUIN 2; THIOBARBITURIC ACID DERIVATIVE;

ARTICLE; BINDING AFFINITY; BINDING FREE ENERGY; BINDING KINETICS; CALCULATION; DATA ANALYSIS; DRUG ACTIVITY; DRUG BINDING; DRUG BINDING SITE; DRUG SCREENING; DRUG STRUCTURE; ELECTROSTATIC INTERACTION ENERGY; ENTHALPY; ENTROPY; ENZYME INHIBITION; IC 50; LINEAR INTERACTION ENERGY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR LIBRARY; MOLECULAR MECHANICS POISSON BOLTZMANN SURFACE AREA; PREDICTION; PRIORITY JOURNAL; SCREENING; VAN DER WAALS INTERACTION ENERGY; VIRTUAL SCREENING;

EID: 84857245894 PISSN: 20402503 EISSN: 20402511 Source Type: Journal
DOI: 10.1039/c1md00214g Document Type: Article

Times cited : (36)

References (35)

1
- 33947094574
- M. Mezei S. Swaminathan D. L. Beveridge J. Am. Chem. Soc. 1978 100 3255 3256
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 3255-3256
- Mezei, M.¹ Swaminathan, S.² Beveridge, D.L.³

2
- 0024578173
- D. L. Beveridge F. M. DiCupa Annu. Rev. Biophys. Biophys. Chem. 1989 18 431 492
- (1989) Annu. Rev. Biophys. Biophys. Chem. , vol.18 , pp. 431-492
- Beveridge, D.L.¹ Dicupa, F.M.²

3
- 0037008160
- H. Gohlke G. Klebe Angew. Chem., Int. Ed. 2002 41 2644 2676
- (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 2644-2676
- Gohlke, H.¹ Klebe, G.²

4
- 33749260698
- G. L. Warren C. W. Andrews A.-M. Capelli B. Clarke J. LaLonde M. H. Lambert M. Lindvall N. Nevins S. F. Semus S. Senger G. Tedesco I. D. Wall J. M. Woolven C. E. Peishoff M. S. Head J. Med. Chem. 2006 49 5912 5931
- (2006) J. Med. Chem. , vol.49 , pp. 5912-5931
- Warren, G.L.¹ Andrews, C.W.² Capelli, A.-M.³ Clarke, B.⁴ Lalonde, J.⁵ Lambert, M.H.⁶ Lindvall, M.⁷ Nevins, N.⁸ Semus, S.F.⁹ Senger, S.¹⁰ Tedesco, G.¹¹ Wall, I.D.¹² Woolven, J.M.¹³ Peishoff, C.E.¹⁴ Head, M.S.¹⁵

5
- 1942471391
- P. Ferrara H. Gohlke D. J. Price G. Klebe C. L. Brooks, III J. Med. Chem. 2004 47 3032 3047
- (2004) J. Med. Chem. , vol.47 , pp. 3032-3047
- Ferrara, P.¹ Gohlke, H.² Price, D.J.³ Klebe, G.⁴ Brooks Iii, C.L.⁵

6
- 0035910029
- W. Wang P. A. Kollman Proc. Natl. Acad. Sci. U. S. A. 2001 98 14937 14942
- (2001) Proc. Natl. Acad. Sci. U. S. A. , vol.98 , pp. 14937-14942
- Wang, W.¹ Kollman, P.A.²

7
- 0034521981
- P. A. Kollman I. Massova C. Reyes B. Kuhn S. Huo L. Chong M. Lee T. Lee Y. Duan W. Wang O. Donini P. Cieplak J. Srinivasan D. A. Case T. E. Cheatham Acc. Chem. Res. 2000 33 889 897
- (2000) Acc. Chem. Res. , vol.33 , pp. 889-897
- Kollman, P.A.¹ Massova, I.² Reyes, C.³ Kuhn, B.⁴ Huo, S.⁵ Chong, L.⁶ Lee, M.⁷ Lee, T.⁸ Duan, Y.⁹ Wang, W.¹⁰ Donini, O.¹¹ Cieplak, P.¹² Srinivasan, J.¹³ Case, D.A.¹⁴ Cheatham, T.E.¹⁵

8
- 1442300070
- T. Laitinen J. A. Kankare M. Perakyla Proteins 2004 55 34 43
- (2004) Proteins , vol.55 , pp. 34-43
- Laitinen, T.¹ Kankare, J.A.² Perakyla, M.³

9
- 0028155689
- J. Aqvist C. Medina J. E. Samuelsson Protein Eng. 1994 7 385 391
- (1994) Protein Eng. , vol.7 , pp. 385-391
- Aqvist, J.¹ Medina, C.² Samuelsson, J.E.³

10
- 0032560959
- J. Srinivasan T. E. Cheatham P. Cieplak P. A. Kollman D. A. Case J. Am. Chem. Soc. 1998 120 9401 9409
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 9401-9409
- Srinivasan, J.¹ Cheatham, T.E.² Cieplak, P.³ Kollman, P.A.⁴ Case, D.A.⁵

11
- 0347602124
- H. Gohlke D. A. Case J. Comput. Chem. 2004 25 238 250
- (2004) J. Comput. Chem. , vol.25 , pp. 238-250
- Gohlke, H.¹ Case, D.A.²

12
- 0036008097
- C. M. Grozinger S. L. Schreiber Chem. Biol. 2002 9 3 16
- (2002) Chem. Biol. , vol.9 , pp. 3-16
- Grozinger, C.M.¹ Schreiber, S.L.²

13
- 2942564591
- B. J. North E. Verdin Genome Biol. 2004 5 224
- (2004) Genome Biol. , vol.5 , pp. 224
- North, B.J.¹ Verdin, E.²

14
- 0036527775
- R. W. Johnstone Nat. Rev. Drug Discovery 2002 1 287 299
- (2002) Nat. Rev. Drug Discovery , vol.1 , pp. 287-299
- Johnstone, R.W.¹

15
- 0034677535
- S. Imai C. M. Armstrong M. Kaeberlein L. Guarente Nature 2000 403 795 800
- (2000) Nature , vol.403 , pp. 795-800
- Imai, S.¹ Armstrong, C.M.² Kaeberlein, M.³ Guarente, L.⁴

16
- 20144372893
- S. Pagans A. Pedal B. J. North K. Kaehlcke B. L. Marshall A. Dorr C. Hetzer-Egger P. Henklein R. Frye M. W. McBurney H. Hruby M. Jung E. Verdin M. Ott PLoS Biol. 2005 3 e41
- (2005) PLoS Biol. , vol.3 , pp. 41
- Pagans, S.¹ Pedal, A.² North, B.J.³ Kaehlcke, K.⁴ Marshall, B.L.⁵ Dorr, A.⁶ Hetzer-Egger, C.⁷ Henklein, P.⁸ Frye, R.⁹ McBurney, M.W.¹⁰ Hruby, H.¹¹ Jung, M.¹² Verdin, E.¹³ Ott, M.¹⁴

17
- 0035913903
- H. Vaziri S. K. Dessain E. Ng Eaton S. I. Imai R. A. Frye T. K. Pandita L. Guarente R. A. Weinberg Cell 2001 107 149 159
- (2001) Cell , vol.107 , pp. 149-159
- Vaziri, H.¹ Dessain, S.K.² Ng Eaton, E.³ Imai, S.I.⁴ Frye, R.A.⁵ Pandita, T.K.⁶ Guarente, L.⁷ Weinberg, R.A.⁸

18
- 0036898253
- O. R. Bereshchenko W. Gu R. Dalla-Favera Nat. Genet. 2002 32 606 613
- (2002) Nat. Genet. , vol.32 , pp. 606-613
- Bereshchenko, O.R.¹ Gu, W.² Dalla-Favera, R.³

19
- 30544445468
- H. Ota E. Tokunaga K. Chang M. Hikasa K. Iijima M. Eto K. Kozaki M. Akishita Y. Ouchi M. Kaneki Oncogene 2005 25 176 185
- (2005) Oncogene , vol.25 , pp. 176-185
- Ota, H.¹ Tokunaga, E.² Chang, K.³ Hikasa, M.⁴ Iijima, K.⁵ Eto, M.⁶ Kozaki, K.⁷ Akishita, M.⁸ Ouchi, Y.⁹ Kaneki, M.¹⁰

20
- 34547599329
- T. F. Outeiro E. Kontopoulos S. Altman I. Kufareva K. E. Strathearn A. M. Amore C. B. Volk M. M. Maxwell J. C. Rochet P. J. McLean A. B. Young R. Abagyan M. B. Feany B. T. Hyman A. Kazantsev Science 2007 317 516 519
- (2007) Science , vol.317 , pp. 516-519
- Outeiro, T.F.¹ Kontopoulos, E.² Altman, S.³ Kufareva, I.⁴ Strathearn, K.E.⁵ Amore, A.M.⁶ Volk, C.B.⁷ Maxwell, M.M.⁸ Rochet, J.C.⁹ McLean, P.J.¹⁰ Young, A.B.¹¹ Abagyan, R.¹² Feany, M.B.¹³ Hyman, B.T.¹⁴ Kazantsev, A.¹⁵

21
- 24744444744
- M. Biel V. Wascholowski A. Giannis Angew. Chem. 2005 117 3248 3280
- (2005) Angew. Chem. , vol.117 , pp. 3248-3280
- Biel, M.¹ Wascholowski, V.² Giannis, A.³

22
- 20344392202
- M. Biel V. Wascholowski A. Giannis Angew. Chem., Int. Ed. 2005 44 3186 3216
- (2005) Angew. Chem., Int. Ed. , vol.44 , pp. 3186-3216
- Biel, M.¹ Wascholowski, V.² Giannis, A.³

23
- 78649861862
- M. Lawson U. Uciechowska J. Schemies T. Rumpf M. Jung W. Sippl Biochim. Biophys. Acta, Gen. Subj. 2010 1799 726 739
- (2010) Biochim. Biophys. Acta, Gen. Subj. , vol.1799 , pp. 726-739
- Lawson, M.¹ Uciechowska, U.² Schemies, J.³ Rumpf, T.⁴ Jung, M.⁵ Sippl, W.⁶

24
- 9744284968
- A. J. Tervo S. Kyrylenko P. Niskanen A. Salminen J. Leppanen T. H. Nyronen T. Jarvinen A. Poso J. Med. Chem. 2004 47 6292 6298
- (2004) J. Med. Chem. , vol.47 , pp. 6292-6298
- Tervo, A.J.¹ Kyrylenko, S.² Niskanen, P.³ Salminen, A.⁴ Leppanen, J.⁵ Nyronen, T.H.⁶ Jarvinen, T.⁷ Poso, A.⁸

25
- 33845355601
- A. J. Tervo T. Suuronen S. Kyrylenko E. Kuusisto P. H. Kiviranta A. Salminen J. Leppanen A. Poso J. Med. Chem. 2006 49 7239 7241
- (2006) J. Med. Chem. , vol.49 , pp. 7239-7241
- Tervo, A.J.¹ Suuronen, T.² Kyrylenko, S.³ Kuusisto, E.⁴ Kiviranta, P.H.⁵ Salminen, A.⁶ Leppanen, J.⁷ Poso, A.⁸

26
- 33646254136
- B. Heltweg T. Gatbonton A. D. Schuler J. Posakony H. Li S. Goehle R. Kollipara R. A. Depinho Y. Gu J. A. Simon A. Bedalov Cancer Res. 2006 66 4368 4377
- (2006) Cancer Res. , vol.66 , pp. 4368-4377
- Heltweg, B.¹ Gatbonton, T.² Schuler, A.D.³ Posakony, J.⁴ Li, H.⁵ Goehle, S.⁶ Kollipara, R.⁷ Depinho, R.A.⁸ Gu, Y.⁹ Simon, J.A.¹⁰ Bedalov, A.¹¹

27
- 35548936745
- J. Trapp R. Meier D. Hongwiset M. U. Kassack W. Sippl M. Jung ChemMedChem 2007 2 1419 1431
- (2007) ChemMedChem , vol.2 , pp. 1419-1431
- Trapp, J.¹ Meier, R.² Hongwiset, D.³ Kassack, M.U.⁴ Sippl, W.⁵ Jung, M.⁶

28
- 77951697156
- D. Rotili D. Tarantino V. Carafa E. Lara S. Meade G. Botta A. Nebbioso J. Schemies M. Jung A. G. Kazantsev M. Esteller M. F. Fraga L. Altucci A. Mai ChemMedChem 2010 5 674 677
- (2010) ChemMedChem , vol.5 , pp. 674-677
- Rotili, D.¹ Tarantino, D.² Carafa, V.³ Lara, E.⁴ Meade, S.⁵ Botta, G.⁶ Nebbioso, A.⁷ Schemies, J.⁸ Jung, M.⁹ Kazantsev, A.G.¹⁰ Esteller, M.¹¹ Fraga, M.F.¹² Altucci, L.¹³ Mai, A.¹⁴

29
- 33845476236
- J. Trapp A. Jochum R. Meier L. Saunders B. Marshall C. Kunick E. Verdin P. G. Goekjian W. Sippl M. Jung J. Med. Chem. 2006 49 7307 7316
- (2006) J. Med. Chem. , vol.49 , pp. 7307-7316
- Trapp, J.¹ Jochum, A.² Meier, R.³ Saunders, L.⁴ Marshall, B.⁵ Kunick, C.⁶ Verdin, E.⁷ Goekjian, P.G.⁸ Sippl, W.⁹ Jung, M.¹⁰

30
- 2342614837
- J. Posakony M. Hirao S. Stevens J. A. Simon A. Bedalov J. Med. Chem. 2004 47 2635 2644
- (2004) J. Med. Chem. , vol.47 , pp. 2635-2644
- Posakony, J.¹ Hirao, M.² Stevens, S.³ Simon, J.A.⁴ Bedalov, A.⁵

31
- 57549089690
- U. Uciechowska J. Schemies R. Neugebauer E. Huda M. Schmitt R. Meier E. Verdin M. Jung W. Sippl ChemMedChem 2008 3 1965 1976
- (2008) ChemMedChem , vol.3 , pp. 1965-1976
- Uciechowska, U.¹ Schemies, J.² Neugebauer, R.³ Huda, E.⁴ Schmitt, M.⁵ Meier, R.⁶ Verdin, E.⁷ Jung, M.⁸ Sippl, W.⁹

32
- 41649103241
- R. C. Neugebauer U. Uchiechowska R. Meier H. Hruby V. Valkov E. Verdin W. Sippl M. Jung J. Med. Chem. 2008 51 1203 1213
- (2008) J. Med. Chem. , vol.51 , pp. 1203-1213
- Neugebauer, R.C.¹ Uchiechowska, U.² Meier, R.³ Hruby, H.⁴ Valkov, V.⁵ Verdin, E.⁶ Sippl, W.⁷ Jung, M.⁸

33
- 0031552362
- G. Jones P. Willett R. C. Glen A. R. Leach R. Taylor J. Mol. Biol. 1997 267 727 748
- (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

34
- 0034956304
- M. S. Finnin J. R. Donigian N. P. Pavletich Nat. Struct. Biol. 2001 8 621 625
- (2001) Nat. Struct. Biol. , vol.8 , pp. 621-625
- Finnin, M.S.¹ Donigian, J.R.² Pavletich, N.P.³

35
- 2942532422
- J. Wang R. M. Wolf J. W. Caldwell P. A. Kollman D. Case J. Comput. Chem. 2004 25 1157 1174
- (2004) J. Comput. Chem. , vol.25 , pp. 1157-1174
- Wang, J.¹ Wolf, R.M.² Caldwell, J.W.³ Kollman, P.A.⁴ Case, D.⁵

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