-
3
-
-
0024554077
-
-
Elder J.T., Fisher G.J., Lindquist P.B., Bennett G.L., Pittelkow M.R., Coffey R.J., Ellingsworth L., Derynck R., Voorhees J.J. Science. 243:1989;811-814
-
(1989)
Science
, vol.243
, pp. 811-814
-
-
Elder, J.T.1
Fisher, G.J.2
Lindquist, P.B.3
Bennett, G.L.4
Pittelkow, M.R.5
Coffey, R.J.6
Ellingsworth, L.7
Derynck, R.8
Voorhees, J.J.9
-
8
-
-
0028142387
-
-
Fry D.W., Kraker A.J., McMichael A., Ambroso L.A., Nelson J.M., Leopold W.R., Connors R., Bridges A.J. Science. 265:1994;1093-1095
-
(1994)
Science
, vol.265
, pp. 1093-1095
-
-
Fry, D.W.1
Kraker, A.J.2
McMichael, A.3
Ambroso, L.A.4
Nelson, J.M.5
Leopold, W.R.6
Connors, R.7
Bridges, A.J.8
-
9
-
-
0028106163
-
-
Ward W.H.J., Cook P.N., Slater A.M., Daview H., Holdgate G.A., Green L.R. Biochem. Pharmacol. 48:1994;659-666
-
(1994)
Biochem. Pharmacol.
, vol.48
, pp. 659-666
-
-
Ward, W.H.J.1
Cook, P.N.2
Slater, A.M.3
Daview, H.4
Holdgate, G.A.5
Green, L.R.6
-
10
-
-
0029130763
-
-
Rewcastle G.W., Denny W.A., Bridges A., Zhou H., Cody D.R., McMichael A., Fry D.W. J. Med. Chem. 38:1995;3482-3487
-
(1995)
J. Med. Chem.
, vol.38
, pp. 3482-3487
-
-
Rewcastle, G.W.1
Denny, W.A.2
Bridges, A.3
Zhou, H.4
Cody, D.R.5
McMichael, A.6
Fry, D.W.7
-
11
-
-
0030039555
-
-
Bridges A., Zhou H., Cody D.R., Rewcastle G.W., McMichael A., Showalter H.D.H., Fry D.W., Kraker A.J., Denny W.A. J. Med. Chem. 39:1996;267-276
-
(1996)
J. Med. Chem.
, vol.39
, pp. 267-276
-
-
Bridges, A.1
Zhou, H.2
Cody, D.R.3
Rewcastle, G.W.4
McMichael, A.5
Showalter, H.D.H.6
Fry, D.W.7
Kraker, A.J.8
Denny, W.A.9
-
12
-
-
0029975029
-
-
Rewcastle G.W., Palmer D.B., Thompson A.M., Bridges A., Cody D.R., Zhou H., Fry D.W., McMichael A., Denny W.A. J. Med. Chem. 39:1996;1823-1835
-
(1996)
J. Med. Chem.
, vol.39
, pp. 1823-1835
-
-
Rewcastle, G.W.1
Palmer, D.B.2
Thompson, A.M.3
Bridges, A.4
Cody, D.R.5
Zhou, H.6
Fry, D.W.7
McMichael, A.8
Denny, W.A.9
-
13
-
-
0030779452
-
-
Gibson H.K., Grundy W., Godfrey A.A., Woodburn J.R., Ashton S.E., Curry B.J., Scarlett L., Barker A.J., Brown D.S. Bioorg. Med. Chem. Lett. 7:1997;2723-2728
-
(1997)
Bioorg. Med. Chem. Lett.
, vol.7
, pp. 2723-2728
-
-
Gibson, H.K.1
Grundy, W.2
Godfrey, A.A.3
Woodburn, J.R.4
Ashton, S.E.5
Curry, B.J.6
Scarlett, L.7
Barker, A.J.8
Brown, D.S.9
-
14
-
-
0034710707
-
-
Wissner A., Berger D.M., Boschelli D.H., Floyd B. Jr., Greenberger L.M., Gruber B.C., Johnson B.D., Mamuya N., Nilakantan R., Reich M.F., Shen R., Tsou H.-R., Upeslacis E., Wang Y.F., Wu B., Ye F., Zhang N.J. Med. Chem. 43:2000;3244-3256
-
(2000)
Med. Chem.
, vol.43
, pp. 3244-3256
-
-
Wissner, A.1
Berger, D.M.2
Boschelli, D.H.3
Floyd Jr., B.4
Greenberger, L.M.5
Gruber, B.C.6
Johnson, B.D.7
Mamuya, N.8
Nilakantan, R.9
Reich, M.F.10
Shen, R.11
Tsou, H.-R.12
Upeslacis, E.13
Wang, Y.F.14
Wu, B.15
Ye, F.16
Zhang, N.J.17
-
15
-
-
0035939330
-
-
Barker A.J., Gibson K.H., Grundy W., Godfrey A.A., Barlow J.J., Healy M.P., Woodburn J.R., Ashton S.E., Curry B.J., Scarlett L., Henthorn L., Richards L. Bioorg. Med. Chem. Lett. 11:2001;1911-1914
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, pp. 1911-1914
-
-
Barker, A.J.1
Gibson, K.H.2
Grundy, W.3
Godfrey, A.A.4
Barlow, J.J.5
Healy, M.P.6
Woodburn, J.R.7
Ashton, S.E.8
Curry, B.J.9
Scarlett, L.10
Henthorn, L.11
Richards, L.12
-
16
-
-
17544387877
-
-
Hennequin L.F., Thomas A.P., Johnstone C., Stokes E.S.E., Ple P.A., Johmann J.-J.M., Ogilvie D.J., Dukes M., Wedge S.R., Curwen J.O., Kendrew J., Kambert van Brempt C. J. Med. Chem. 42:1999;5369-5389
-
(1999)
J. Med. Chem.
, vol.42
, pp. 5369-5389
-
-
Hennequin, L.F.1
Thomas, A.P.2
Johnstone, C.3
Stokes, E.S.E.4
Ple, P.A.5
Johmann, J.-J.M.6
Ogilvie, D.J.7
Dukes, M.8
Wedge, S.R.9
Curwen, J.O.10
Kendrew, J.11
Kambert Van Brempt, C.12
-
17
-
-
0037075812
-
-
Hennequin L.F., Stokes E.S.E., Thomas A.P., Johnstone C., Ple P.A., Ogilvie D.J., Dukes M., Wedge S.R., Kendrew J., Curwen J.O. J. Med. Chem. 45:2002;1300-1312
-
(2002)
J. Med. Chem.
, vol.45
, pp. 1300-1312
-
-
Hennequin, L.F.1
Stokes, E.S.E.2
Thomas, A.P.3
Johnstone, C.4
Ple, P.A.5
Ogilvie, D.J.6
Dukes, M.7
Wedge, S.R.8
Kendrew, J.9
Curwen, J.O.10
-
18
-
-
0037019285
-
-
Matsuno K., Ichimura M., Nakajima T., Tahara K., Fujiwara S., Kase H., Ushiki J., Giese N.A., Pandey A., Scarborough R.M., Lokker N.A., Yu J.-C., Irie Y., Tsukuda E., Ide S., Oda S., Nomoto Y. J. Med. Chem. 45:2002;3057-3066
-
(2002)
J. Med. Chem.
, vol.45
, pp. 3057-3066
-
-
Matsuno, K.1
Ichimura, M.2
Nakajima, T.3
Tahara, K.4
Fujiwara, S.5
Kase, H.6
Ushiki, J.7
Giese, N.A.8
Pandey, A.9
Scarborough, R.M.10
Lokker, N.A.11
Yu, J.-C.12
Irie, Y.13
Tsukuda, E.14
Ide, S.15
Oda, S.16
Nomoto, Y.17
-
20
-
-
0035829463
-
-
Boschelli D.H., Ye F.e., Wang Y.D., Dutia M., Johnson S.L., Wu B., Miller K., Powell D.W., Yaczko D., Young M., Tischler M., Arndt K., Discafani C., Etienne C., Gibbons J., Grod J., Lucas J., Weber J.M., Boschelli F. J. Med. Chem. 44:2001;3965-3977
-
(2001)
J. Med. Chem.
, vol.44
, pp. 3965-3977
-
-
Boschelli, D.H.1
E., Y.F.2
Wang, Y.D.3
Dutia, M.4
Johnson, S.L.5
Wu, B.6
Miller, K.7
Powell, D.W.8
Yaczko, D.9
Young, M.10
Tischler, M.11
Arndt, K.12
Discafani, C.13
Etienne, C.14
Gibbons, J.15
Grod, J.16
Lucas, J.17
Weber, J.M.18
Boschelli, F.19
-
21
-
-
0034642482
-
-
Shewchuk L., Hassell A., Wisely B., Rocque W., Holmes W., Veal J., Kuyper L.F. J. Med. Chem. 43:2000;133-138
-
(2000)
J. Med. Chem.
, vol.43
, pp. 133-138
-
-
Shewchuk, L.1
Hassell, A.2
Wisely, B.3
Rocque, W.4
Holmes, W.5
Veal, J.6
Kuyper, L.F.7
-
24
-
-
0033602541
-
-
Traxler P., Green J., Mett H., Sequin U., Furet P. J. Med. Chem. 42:1999;1018-1026
-
(1999)
J. Med. Chem.
, vol.42
, pp. 1018-1026
-
-
Traxler, P.1
Green, J.2
Mett, H.3
Sequin, U.4
Furet, P.5
-
25
-
-
0141790089
-
-
Minutolo F., Antonello M., Bertini S., Ortore G., Placanica G., Rapposelli S., Sheng S., Carlson K.E., Katzenellenbogen B.S., Katzenellenbogen J.A., Macchia M. J. Med. Chem. 46:2003;4032-4042
-
(2003)
J. Med. Chem.
, vol.46
, pp. 4032-4042
-
-
Minutolo, F.1
Antonello, M.2
Bertini, S.3
Ortore, G.4
Placanica, G.5
Rapposelli, S.6
Sheng, S.7
Carlson, K.E.8
Katzenellenbogen, B.S.9
Katzenellenbogen, J.A.10
MacChia, M.11
-
26
-
-
1342279609
-
-
Liechti C., Sequin U., Bold G., Furet P., Meyer T., Traxler P. Eur. J. Med. Chem. 39:2004;11-26
-
(2004)
Eur. J. Med. Chem.
, vol.39
, pp. 11-26
-
-
Liechti, C.1
Sequin, U.2
Bold, G.3
Furet, P.4
Meyer, T.5
Traxler, P.6
-
27
-
-
1842851783
-
-
A part of this work was published as a communication: see:
-
A part of this work was published as a communication: see: Asano T., Yoshikawa T., Nakamura H., Uehara Y., Yamamoto Y. Bioorg. Med. Chem. Lett. 14:2004;2299-2302
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, pp. 2299-2302
-
-
Asano, T.1
Yoshikawa, T.2
Nakamura, H.3
Uehara, Y.4
Yamamoto, Y.5
-
28
-
-
0034680717
-
-
Szczepankiewicz W., Suwiski J., Bujok R., Gluchowski C., Cooper L., Bergbreiter D.E., Martin Newcomb M. Tetrahedron. 56:2000;9343-9349
-
(2000)
Tetrahedron
, vol.56
, pp. 9343-9349
-
-
Szczepankiewicz, W.1
Suwiski, J.2
Bujok, R.3
Gluchowski, C.4
Cooper, L.5
Bergbreiter, D.E.6
Martin Newcomb, M.7
-
30
-
-
0037137612
-
-
Manley P.W., Furet P., Bold G., Bruggen J., Mestan J., Meyer T., Schnell C.R., Wood J., Haberey M., Huth A., Kruger M., Menrad A., Ottow E., Seidelmann D., Siemeister G., Thierauch K.-H. J. Med. Chem. 45:2002;5687-5693
-
(2002)
J. Med. Chem.
, vol.45
, pp. 5687-5693
-
-
Manley, P.W.1
Furet, P.2
Bold, G.3
Bruggen, J.4
Mestan, J.5
Meyer, T.6
Schnell, C.R.7
Wood, J.8
Haberey, M.9
Huth, A.10
Kruger, M.11
Menrad, A.12
Ottow, E.13
Seidelmann, D.14
Siemeister, G.15
Thierauch, K.-H.16
-
32
-
-
0033533853
-
-
Wilson S., Howard P.W., Forrow S.M., Hartley J.A., Adams L.J., Jenkins T.C., Kelland L.R., Thurston D.E. J. Med. Chem. 42:1999;4028-4041
-
(1999)
J. Med. Chem.
, vol.42
, pp. 4028-4041
-
-
Wilson, S.1
Howard, P.W.2
Forrow, S.M.3
Hartley, J.A.4
Adams, L.J.5
Jenkins, T.C.6
Kelland, L.R.7
Thurston, D.E.8
-
33
-
-
0035848582
-
-
Larsen S.D., Connel M.A., Cudahy M.M., Evans P.D., Meglasson M.D., O'Sullivan T.J., Schostarez H.J., Sih J.C., Stevens F.C., Tanis S.P., Tegley C.M., Tucker J.A., Vaillancourt V.A., Vildmar T.J., Watt W., Yu J.H. J. Med. Chem. 44:2001;1217-1230
-
(2001)
J. Med. Chem.
, vol.44
, pp. 1217-1230
-
-
Larsen, S.D.1
Connel, M.A.2
Cudahy, M.M.3
Evans, P.D.4
Meglasson, M.D.5
O'Sullivan, T.J.6
Schostarez, H.J.7
Sih, J.C.8
Stevens, F.C.9
Tanis, S.P.10
Tegley, C.M.11
Tucker, J.A.12
Vaillancourt, V.A.13
Vildmar, T.J.14
Watt, W.15
Yu, J.H.16
-
41
-
-
0032080613
-
-
Sasaki S., Hashimoto T., Obana N., Yasuda H., Uehara Y., Maeda M. Bioorg. Med. Chem. Lett. 8:1998;1019-1022
-
(1998)
Bioorg. Med. Chem. Lett.
, vol.8
, pp. 1019-1022
-
-
Sasaki, S.1
Hashimoto, T.2
Obana, N.3
Yasuda, H.4
Uehara, Y.5
Maeda, M.6
-
42
-
-
0032581427
-
-
Shikano M., Onimura K., Fukai Y., Hori M., Fukazawa H., Mizuno S., Yazawa K., Uehara Y. Biochem. Biophys. Res. Commun. 248:1998;858-863
-
(1998)
Biochem. Biophys. Res. Commun.
, vol.248
, pp. 858-863
-
-
Shikano, M.1
Onimura, K.2
Fukai, Y.3
Hori, M.4
Fukazawa, H.5
Mizuno, S.6
Yazawa, K.7
Uehara, Y.8
-
45
-
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2942529352
-
-
note
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The 'rank-by-rank' strategy is adopted here to perform consensus scorings because the results given by the scoring functions (LigScore, PLP, PMF, and LUDI) have different units. Each scoring function involved in the given consensus-scoring scheme is applied to rank the conformations of the ligand. The final rank of a certain conformation is its average rank received from all the scoring functions. In the case of this thesis, the conformations in Figure 3 are selected from success rates of the double scoring (LigScore + LUDI). Refer to Wang et al.[44]
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47
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2942617165
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note
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2 where C+_pol is the total surface area of the ligand involved in repulsive polar interactions with the protein
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