-
1
-
-
0027301080
-
-
Barnard D.L., Smee D.F., Huffman J.H., Meyerson L.R., and Sidwell R.W. Chemotherapy 39 (1993) 203
-
(1993)
Chemotherapy
, vol.39
, pp. 203
-
-
Barnard, D.L.1
Smee, D.F.2
Huffman, J.H.3
Meyerson, L.R.4
Sidwell, R.W.5
-
2
-
-
0025974767
-
-
De Meyer N., Haemers A., Mishra L., Pandey H.K., Pieters L.A., Vanden Berghe D.A., and Vlietinck A.J. J. Med. Chem. 34 (1991) 736
-
(1991)
J. Med. Chem.
, vol.34
, pp. 736
-
-
De Meyer, N.1
Haemers, A.2
Mishra, L.3
Pandey, H.K.4
Pieters, L.A.5
Vanden Berghe, D.A.6
Vlietinck, A.J.7
-
3
-
-
11844256397
-
-
Won S.J., Liu C.T., Tsao L.T., Weng J.R., Ko H.H., Wang J.P., and Lin C.N. Eur. J. Med. Chem. 40 (2005) 103
-
(2005)
Eur. J. Med. Chem.
, vol.40
, pp. 103
-
-
Won, S.J.1
Liu, C.T.2
Tsao, L.T.3
Weng, J.R.4
Ko, H.H.5
Wang, J.P.6
Lin, C.N.7
-
4
-
-
34047185373
-
-
Cabrera M., Simoens M., Falchi G., Lavaggi M.L., Piro O.E., Castellano E.E., Vidal A., Azqueta A., Monge A., de Ceráin A.L., Sagrera G., Seoane G., Cerecetto H., and González M. Bioorg. Med. Chem. 15 (2007) 3356
-
(2007)
Bioorg. Med. Chem.
, vol.15
, pp. 3356
-
-
Cabrera, M.1
Simoens, M.2
Falchi, G.3
Lavaggi, M.L.4
Piro, O.E.5
Castellano, E.E.6
Vidal, A.7
Azqueta, A.8
Monge, A.9
de Ceráin, A.L.10
Sagrera, G.11
Seoane, G.12
Cerecetto, H.13
González, M.14
-
5
-
-
61349139307
-
-
in press. doi: 10.1016/j.ejmech.2008.09.009
-
Formento-Navarini, A. L.; Chiaradia, L. D.; Mascarello, A.; Fritzen, M.; Nunes, R. J.; Yunes, R. A.; Creczynski-Pasa, T. B. Eur. J. Med. Chem., in press. doi: 10.1016/j.ejmech.2008.09.009.
-
Eur. J. Med. Chem
-
-
Formento-Navarini, A.L.1
Chiaradia, L.D.2
Mascarello, A.3
Fritzen, M.4
Nunes, R.J.5
Yunes, R.A.6
Creczynski-Pasa, T.B.7
-
11
-
-
0036978904
-
-
Arockia Babu M., Shakya N., Prathipati P., Kaskhedikar S.G., and Saxena A.K. Bioorg. Med. Chem. 10 (2002) 4035
-
(2002)
Bioorg. Med. Chem.
, vol.10
, pp. 4035
-
-
Arockia Babu, M.1
Shakya, N.2
Prathipati, P.3
Kaskhedikar, S.G.4
Saxena, A.K.5
-
13
-
-
0026031623
-
-
Capasso A., Pinto A., Mascolo N., Autore G., and Capasso F. Phytother. Res. 5 (1991) 85-87
-
(1991)
Phytother. Res.
, vol.5
, pp. 85-87
-
-
Capasso, A.1
Pinto, A.2
Mascolo, N.3
Autore, G.4
Capasso, F.5
-
14
-
-
1242339553
-
-
Dao T.T., Chi Y.S., Kim J., Kim H.P., Kim S., and Park H. Bioorg. Med. Chem. Lett. 14 (2004) 1165
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, pp. 1165
-
-
Dao, T.T.1
Chi, Y.S.2
Kim, J.3
Kim, H.P.4
Kim, S.5
Park, H.6
-
15
-
-
38549094205
-
-
Chiaradia L.D., dos Santos R., Vitor C.E., Vieira A.A., Leal P.C., Nunes R.J., Calixto J.B., and Yunes R.A. Bioorg. Med. Chem. 16 (2008) 658
-
(2008)
Bioorg. Med. Chem.
, vol.16
, pp. 658
-
-
Chiaradia, L.D.1
dos Santos, R.2
Vitor, C.E.3
Vieira, A.A.4
Leal, P.C.5
Nunes, R.J.6
Calixto, J.B.7
Yunes, R.A.8
-
16
-
-
84887128291
-
-
Suzuki K., Hyun Seung B., Soon Sung L., Sanghyun L., Sang Hoon J., Yeon Sil L., Kuk Hyun S., and Ohuchi K. Ensho Saisei 25 (2005) 130
-
(2005)
Ensho Saisei
, vol.25
, pp. 130
-
-
Suzuki, K.1
Hyun Seung, B.2
Soon Sung, L.3
Sanghyun, L.4
Sang Hoon, J.5
Yeon Sil, L.6
Kuk Hyun, S.7
Ohuchi, K.8
-
17
-
-
48249112172
-
-
Gomes A., Fernandes E., Lima J.L., Mira L., and Corvo M.L. Curr. Med. Chem. 15 (2008) 1586
-
(2008)
Curr. Med. Chem.
, vol.15
, pp. 1586
-
-
Gomes, A.1
Fernandes, E.2
Lima, J.L.3
Mira, L.4
Corvo, M.L.5
-
19
-
-
0032547898
-
-
Nielsen S.F., Christensen S.B., Cruciani G., Kharazmi A., and Liljefors T. J. Med. Chem. 41 (1998) 4819
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4819
-
-
Nielsen, S.F.1
Christensen, S.B.2
Cruciani, G.3
Kharazmi, A.4
Liljefors, T.5
-
20
-
-
0035175361
-
-
Corréa R., Pereira M.A.S., Buffon D., dos Santos L., Cechinel-Filho V., Santos A.R.S., and Nunes R.J. Arch. Pharm. Med. Chem. 334 (2001) 332
-
(2001)
Arch. Pharm. Med. Chem.
, vol.334
, pp. 332
-
-
Corréa, R.1
Pereira, M.A.S.2
Buffon, D.3
dos Santos, L.4
Cechinel-Filho, V.5
Santos, A.R.S.6
Nunes, R.J.7
-
21
-
-
20944451921
-
-
Daskiewicz J.B., Depeint F., Viornery L., Bayet C., Comte-Sarrazin G., Comte G., Gee J.M., Johnson I.T., Ndjoko K., Hostettmann K., and Barron D. J. Med. Chem. 48 (2005) 2790
-
(2005)
J. Med. Chem.
, vol.48
, pp. 2790
-
-
Daskiewicz, J.B.1
Depeint, F.2
Viornery, L.3
Bayet, C.4
Comte-Sarrazin, G.5
Comte, G.6
Gee, J.M.7
Johnson, I.T.8
Ndjoko, K.9
Hostettmann, K.10
Barron, D.11
-
22
-
-
61649102435
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note
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2) to give the product.
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23
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61649106724
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note
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+, 70), 308 (100), 307 (95), 188 (68), 147 (94), 121 (94), 120 (96), 101 (70).
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24
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61649116400
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note
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3) C, H, O.
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61649099605
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note
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2 according to the manufacturer's recommendation. All experiments were carried out at least three times.
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25644444396
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-
Han K.H., Son M.J., Chang H.W., Chi Y.S., Park H., and Kim H.P. Biol. Pharm. Bull. 28 (2005) 1366
-
(2005)
Biol. Pharm. Bull.
, vol.28
, pp. 1366
-
-
Han, K.H.1
Son, M.J.2
Chang, H.W.3
Chi, Y.S.4
Park, H.5
Kim, H.P.6
-
28
-
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61649098400
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Chemical Computing Group Inc
-
Molecular Operating Environment MOE, Canada
-
Molecular Operating Environment MOE, Chemical Computing Group Inc., Montreal, H3A 2R7 Canada. http://www.chemcomp.com.
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Montreal, H3A 2R7
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61649116175
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note
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-1. The lowest-energy conformer of each molecule was selected and stored in mdb database. Preparation of target enzyme structure and docking. The X-ray crystal structure of COX-2:SC-558 complex (pdb 1cx2) was retrieved from the RCSB Protein Data Bank (www.rcsb.org). The active site was defined as all the amino acid residues enclosed within 6.5 Å radius sphere centered by the bound ligand, SC-558 (1-phenylsulfonamied-3-trifluoromethyl-5-parabromophenyl-pyrazole, a selective COX-2 inhibitor) and 'site finder' in MOE was used to determine the binding site. The docking and subsequent scoring were performed using the MOE docking programs. The final of 30 docked conformations per ligand were analyzed and used to create the illustrative figures.
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0142215549
-
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Cho H., Yun C.-W., Park W.-K., Kong J.-Y., Kim K.S., Park Y., Lee S., and Kim B.-K. Pharmacol. Res. 49 (2004) 37
-
(2004)
Pharmacol. Res.
, vol.49
, pp. 37
-
-
Cho, H.1
Yun, C.-W.2
Park, W.-K.3
Kong, J.-Y.4
Kim, K.S.5
Park, Y.6
Lee, S.7
Kim, B.-K.8
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