CONSTRUCTION AND OPTIMIZATION OF STRUCTURE-BASED VIRTUAL SCREENING PROTOCOLS TO IDENTIFY CYCLOOXYGENASE-1 INHIBITORS USING OPEN BABEL, SPORES AND PLANTS
Enade Perdana Istyastono(1*)
(1) Molecular Modeling Center “MOLMOD.ORG” Yogyakarta
(*) Corresponding Author
Abstract
Keywords
Full Text:
Full Text PDFReferences
[1] Vane, J.R., 1971, Nat. New. Biol., 231, 25, 232–235.
[2] Rao, P., and Knaus, E.E., 2008, J. Pharm. Pharm. Sci., 11, 2, 81s–110s.
[3] Masferrer, J.L., Zweifel, B.S., Seibert, K., and Needleman, P., 1990, J. Clin. Invest., 86, 4, 1375–1379.
[4] Meade, E.A., Smith, W.L., and DeWitt, D.L., 1993, J. Biol. Chem., 268, 9, 6610–6614.
[5] Tanaka, K., Suemasu, S., Ishihara, T., Tasaka, Y., Arai, Y., and Mizushima, T., 2009. Eur. J. Pharmacol., 603, 1-3, 120–132.
[6] Willoughby, D.A., Moore, A.R., Colville-Nash, P.R., and Gilroy, D., 2000, Int. .J. Immunopharmacol., 22, 12, 1131–1135.
[7] Huang, N., Shoichet, B.K., and Irwin, J.J., 2006, J. Med. Chem., 49, 23, 6789–6801.
[8] Hayun, Yanuar, A., Hanafi, M., and Hudiyono-PWS, S., 2011, Bioinformation, 7, 5, 246–250.
[9] Sudha, K.N., Shakira, M., Prasanthi, P., Sarika, N., Kumar Ch.N., and Babu, P.A., 2008, Bioinformation, 2, 8, 325–329.
[10] Yuniarti, N., Ikawati, Z., and Istyastono, E.P., 2011, Bioinformation, 6, 4, 164–166.
[11] Wang, J.L., Limburg, D., Graneto, M.J., Springer, J., Hamper, J.R., Liao, S., Pawlitz, J.L., Kurumbail, R.G., Maziasz, T., Talley, J.J., Kiefer, J.R., and Carter, J., 2010, Bioorg. Med. Chem. Lett., 20, 23, 7159–7163.
[12] Harman, C.A., Turman, M.V., Kozak, K.R., Marnett, L.J., Smith, W.L., and Garavito, R.M., 2007, J. Biol. Chem., 282, 38, 28096–28105.
[13] Picot, D., Loll, P.J., and Garavito, R.M., 1994, Nature, 367, 6460, 243–249.
[14] Rimon, G., Sidhu, R.S., Lauver, D.A., Lee, J.Y., Sharma, N.P., Yuan, C., Frieler, R.A., Trievel, R.C., Lucchesi, B.R., and Smith, W.L., 2010, Proc. Natl. Acad. Sci. USA, 107, 1, 28–33.
[15] Sidhu, R.S., Lee, J.Y., Yuan, C., and Smith, W.L., 2010, Biochemistry, 49, 33, 7069–7079.
[16] Korb, O., Stutzle, T., and Exner, T.E., 2009, J. Chem. Inf. Model., 49, 1, 84–96.
[17] Marcou, G., and Rognan, D., 2007, J. Chem. Inf. Model., 47, 1, 195–207.
[18] ten Brink, T., and Exner, T.E., 2009, J. Chem. Inf. Model., 49, 6, 1535–1546.
[19] O'Boyle, N.M., Banck, M., James, C.A., Morley, C., Vandermeersch, T., and Hutchison, G.R., 2011, J. Cheminform., 3, 33.
[20] DeLano, W.L., 2002, The PyMOL User's Manual, Palo Alto, CA, USA.: DeLano Scientific.
[21] Seeliger, D., and de Groot, B.L., 2010, J. Comput.-Aided Mol. Des., 24, 5, 417–422.
[22] Ihaka, R., and Gentleman, R., 1996, J. Comput. Graph. Stat., 5, 3, 299–314.
[23] Bennett, E.R., Clausen, J., Linkov, E., and Linkov, I., 2009, Chemosphere, 77, 10, 1412–1418.
[24] Krieger, E., and Vriend, G., 2002, Bioinformatics, 18, 2, 315–318.
[25] Istyastono, E.P., Nijmeijer, S., Lim, H.D., van de Stolpe, A., Roumen, L., Kooistra, A.J., Vischer, H.F., de Esch, I.J., Leurs, R., and de Graaf, C., 2011, J. Med. Chem., 54, 23, 8136–8147.
[26] Green, D.V., 2003, Prog. Med. Chem., 41, 61–97.
DOI: https://doi.org/10.22146/ijc.21354
Article Metrics
Abstract views : 2362 | views : 1815Copyright (c) 2012 Indonesian Journal of Chemistry
This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Indonesian Journal of Chemistry (ISSN 1411-9420 /e-ISSN 2460-1578) - Chemistry Department, Universitas Gadjah Mada, Indonesia.
View The Statistics of Indones. J. Chem.