-
3
-
-
0037497326
-
-
Diamond J. Nature 423 (2003) 599
-
(2003)
Nature
, vol.423
, pp. 599
-
-
Diamond, J.1
-
9
-
-
0032959371
-
-
Costantino L., Rastelli G., Vianello P., Cignarella G., and Barlocco D. Med. Res. Rev. 19 (1999) 3
-
(1999)
Med. Res. Rev.
, vol.19
, pp. 3
-
-
Costantino, L.1
Rastelli, G.2
Vianello, P.3
Cignarella, G.4
Barlocco, D.5
-
13
-
-
0030751728
-
-
Costantino L., Rastelli G., Cignarella G., Vianello P., and Barlocco D. Exp. Opin. Ther. Patents 7 (1997) 843
-
(1997)
Exp. Opin. Ther. Patents
, vol.7
, pp. 843
-
-
Costantino, L.1
Rastelli, G.2
Cignarella, G.3
Vianello, P.4
Barlocco, D.5
-
18
-
-
0036169268
-
-
Bruno G., Costantino L., Curinga C., Maccari R., Monforte F., Nicolò F., Ottanà R., and Vigorita M.G. Bioorg. Med. Chem. 10 (2002) 1077
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 1077
-
-
Bruno, G.1
Costantino, L.2
Curinga, C.3
Maccari, R.4
Monforte, F.5
Nicolò, F.6
Ottanà, R.7
Vigorita, M.G.8
-
19
-
-
15244355411
-
-
Maccari R., Ottanà R., Curinga C., Vigorita M.G., Rakowitz D., Steindl T., and Langer T. Bioorg. Med. Chem. 13 (2005) 2809
-
(2005)
Bioorg. Med. Chem.
, vol.13
, pp. 2809
-
-
Maccari, R.1
Ottanà, R.2
Curinga, C.3
Vigorita, M.G.4
Rakowitz, D.5
Steindl, T.6
Langer, T.7
-
21
-
-
0031570301
-
-
Urzhumtsev A., Tete-Favier F., Mitschler A., Barbanton J., Barth P., Urzhumtseva L., Biellmann J.F., Podjarny A., and Moras D. Structure 5 (1997) 601
-
(1997)
Structure
, vol.5
, pp. 601
-
-
Urzhumtsev, A.1
Tete-Favier, F.2
Mitschler, A.3
Barbanton, J.4
Barth, P.5
Urzhumtseva, L.6
Biellmann, J.F.7
Podjarny, A.8
Moras, D.9
-
24
-
-
4143081343
-
-
El-Kabbani O., Darmanin C., Oka M., Schulze-Briese C., Tomizaki T., Hazemann I., Mitschler A., and Podjarny A. J. Med. Chem. 47 (2004) 4530
-
(2004)
J. Med. Chem.
, vol.47
, pp. 4530
-
-
El-Kabbani, O.1
Darmanin, C.2
Oka, M.3
Schulze-Briese, C.4
Tomizaki, T.5
Hazemann, I.6
Mitschler, A.7
Podjarny, A.8
-
25
-
-
2942731426
-
-
Darmanin C., Chevreux G., Potier N., Van Dorsselaer A., Hazemann I., Podjarny A., and El-Kabbani O. Bioorg. Med. Chem. 12 (2004) 3797
-
(2004)
Bioorg. Med. Chem.
, vol.12
, pp. 3797
-
-
Darmanin, C.1
Chevreux, G.2
Potier, N.3
Van Dorsselaer, A.4
Hazemann, I.5
Podjarny, A.6
El-Kabbani, O.7
-
26
-
-
34250356629
-
-
Kaarsholm, N. C.; Olsen, H. B.; Madsen, P.; Oestergaard, S.; Jakobsen, P.; Moeller, T. T. PCT Int. Appl. 2006, WO 2006082245 A1 20060810.
-
-
-
-
27
-
-
34250379760
-
-
Olsen, H. B.; Kaarsholm, N. C.; Madsen, P.; Balschmidt, P. PCT Int. Appl. 2006, WO 2006005683 A1 20060119.
-
-
-
-
28
-
-
34250377110
-
-
Morita, H.; Mori, H. Jpn. Kokai Tokkyo Koho, 1996, JP 08277279 A2 19961022.
-
-
-
-
29
-
-
33747437978
-
-
Kumar B.R.P., Karvekar M.D., Adhikary L., Nanjan M.J., and Suresh B.. J. Heterocycl. Chem. 43 (2006) 897
-
(2006)
J. Heterocycl. Chem.
, vol.43
, pp. 897
-
-
Kumar, B.R.P.1
Karvekar, M.D.2
Adhikary, L.3
Nanjan, M.J.4
Suresh, B..5
-
30
-
-
34250378509
-
-
Cetenko, W. A.; Connor, D. T.; Sorenson, R. J.; Unangst, P. C.; Stabler, S. R. Eur. Pat. Appl. 1989, EP 343643, CAN112:235298.
-
-
-
-
31
-
-
34250303297
-
-
note
-
2O and recrystallized from ethanol providing pure carboxylic acid 13 or 14.
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-
-
-
32
-
-
34250302875
-
-
note
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1H NMR ...
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-
-
-
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34250379359
-
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note
-
50 values were determined from least squares analyses of the linear portion of the log dose-inhibition curves by using CalcuSyn software. Each curve was generated using at least three concentrations of the tested compounds (added as a solution in DMSO; final concentration of DMSO in the incubation mixture was 1%) causing an inhibition between 20% and 80%, with two replicates at each concentration. For details concerning the assay procedure, see Ref. 19.
-
-
-
-
34
-
-
0029911124
-
-
Costantino L., Rastelli G., Vescovini K., Cignarella G., Vianello P., Del Corso A., Cappiello M., Mura U., and Barlocco D. J. Med. Chem. 39 (1996) 4396
-
(1996)
J. Med. Chem.
, vol.39
, pp. 4396
-
-
Costantino, L.1
Rastelli, G.2
Vescovini, K.3
Cignarella, G.4
Vianello, P.5
Del Corso, A.6
Cappiello, M.7
Mura, U.8
Barlocco, D.9
-
36
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-
34250337120
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-
note
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2 software package included the elimination of the inhibitor and of the solvent molecules (keeping the cofactor as part of the protein structure), the addition of hydrogen atoms from templates upon protein import and definition of the suitable tautomeric form of active site His110 for hydrogen bonding to acceptor functions in the ligands. Ligands were processed for docking by defining bond orders and charges correctly, that is, setting the partial charges on both oxygen atoms of the carboxylic acids to a value of -1/2. Site definition resulted from the co-crystallized ligand. Flexible docking runs were carried out without using interaction filters. In the docking preferences the number of Monte Carlo trials was set to a fixed value of 5000 and the maximum number of saved poses to 20, in the energy preferences the force field selection was changed to CFF. Default settings were kept for the remaining site definition and docking parameters. The LigandScout software version 1.02 served as a tool for visualisation of the interactions of the docked ligands with the protein.
-
-
-
-
37
-
-
0033954256
-
-
Berman H.M., Westbrook J., Feng Z., Gilliland G., Bhat T.N., Weissig H., Shindyalov I.N., and Bourne P.E. Nucleic Acids Res. 28 (2000) 235
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. 235
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
38
-
-
20944432343
-
-
Van Zandt M.C., Jones M.L., Gunn D.E., Geraci L.S., Jones J.H., Sawicki D.R., Sredy J., Jacot J.L., DiCioccio A.T., Petrova T., Mitschler A., and Podjarny A.D. J. Med. Chem. 48 (2005) 3141
-
(2005)
J. Med. Chem.
, vol.48
, pp. 3141
-
-
Van Zandt, M.C.1
Jones, M.L.2
Gunn, D.E.3
Geraci, L.S.4
Jones, J.H.5
Sawicki, D.R.6
Sredy, J.7
Jacot, J.L.8
DiCioccio, A.T.9
Petrova, T.10
Mitschler, A.11
Podjarny, A.D.12
-
39
-
-
34250310228
-
-
Catalyst, version 4.11; Accelrys Inc: San Diego, CA, 2005. www.accelrys.com.
-
-
-
-
41
-
-
13844320566
-
-
Available from: Inte:Ligand GmbH, www.inteligand.com/ligandscout.
-
Wolber G., and Langer T. J. Chem. Inf. Comput. Sci. 45 (2005) 160. http://www.inteligand.com/ligandscout Available from: Inte:Ligand GmbH, www.inteligand.com/ligandscout.
-
(2005)
J. Chem. Inf. Comput. Sci.
, vol.45
, pp. 160
-
-
Wolber, G.1
Langer, T.2
-
42
-
-
34250345445
-
-
2, version 4.11, http.//www.accelrys.com; 4.8 ed.; Accelrys Inc.: San Diego.
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-
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