Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases(355 views) Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
Etnalead S.r.l., Scuola Superiore di Catania, Università Degli Studi di Catania, via S. Nullo 5/i, I-95123 Catania, Italy
Dipartimento di Scienze Chimiche, Università Degli Studi di Catania, Viale A.Doria 6 Ed.3, Città Universitaria, I- 95125 Catania, Italy
IBB-CNR, Istituto di Biostrutture e Bioimmagini, Università Degli Studi di Catania, Viale A.Doria 6 Ed.3, Città Universitaria, I- 95125 Catania, Italy
Biomedical Sciences Research Complex, University of St. Andrews, North Haugh, St.-Andrews KY16 8QP, United Kingdom
Etnalead s.r.l., c/o EtnaBuilding, Scuola Superiore di Catania, Universita degli Studi di Catania , via S. Nullo 5/i, I-95123 Catania, Italy.
Etnalead S. r. l., Scuola Superiore di Catania, Universit Degli Studi di Catania, via S. Nullo 5/i, I-95123 Catania, Italy
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Musgrave, I. F., Badoer, E., Harmane produces hypotension following microinjection into the RVLM: Possible role of I-1-imidazoline receptors (2000) Br. J. Pharmacol., 129, pp. 1057-1059
Lalies, M. D., Hibell, A., Hudson, A. L., Nutt, D. J., Inhibition of central monoamine oxidase by imidazoline (2) site-selective ligands (1999) Ann. N. Y. Acad. Sci., 881, pp. 114-117
Jones, T. Z. E., Giurato, L., Guccione, S., Ramsay, R. R., Interactions of imidazoline ligands with the active site of purified monoamine oxidase A (2007) FEBS J., 274, pp. 1567-1575
Wiest, S. A., Steinberg, M. I., Binding of H-3 2- (2-benzofuranyl) -2-imidazoline (BFI) to human brain: Potentiation by tranylcypromine (1997) Life Sci., 60, pp. 605-615
Steinberg, M. I., Wiest, S. A., Pickard, R. T., Chen, K., Shih, J. C., Binding of the imidazoline ligand H-3-2-benzofuranyl-2- imidazoline (BFI) to human brain and platelets - Potentiation by tranylcypromine and role of MAO isoforms (1999) Ann. N. Y. Acad. Sci., 881, pp. 193-198
McDonald, G. R., Olivieri, A., Ramsay, R. R., Holt, A., On the formation and nature of the imidazoline I (2) binding site on human monoamine oxidase-B (2010) Pharmacol. Res., 62, pp. 475-488
Son, S. Y., Ma, A., Kondou, Y., Yoshimura, M., Yamashita, E., Tsukihara, T., Structure of human monoamine oxidase A at 2. 2-angstrom resolution: The control of opening the entry for substrates/inhibitors (2008) Proc. Natl. Acad. Sci. U. S. A., 105, pp. 5739-5744
Bach, A. W. J., Lan, N. C., Johnson, D. L., Abell, C. W., Bembenek, M. E., Kwan, S. W., Seeburg, P. H., Shih, J. C., CDNA cloning of human-liver monoamine oxidase-A and oxidase-B - Molecular basis of differences in enzymatic properties (1988) Proc. Natl. Acad. Sci. U. S. A., 85, pp. 4934-4938
Phillips, J. C., Braun, R., Wang, W., Gumbart, J., Tajkhorshid, E., Villa, E., Chipot, C., Schulten, K., Scalable molecular dynamics with NAMD (2005) J. Comput. Chem., 26, pp. 1781-1802
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W., Klein, M. L., Comparison of simple potential functions for simulating liquid water (1983) J. Chem. Phys., 79, pp. 926-935
Berendsen, H. J. C., Postma, J. P. M., Vangunsteren, W. F., Dinola, A., Haak, J. R., Molecular-Dynamics with Coupling to an External Bath (1984) J. Chem. Phys., 81, pp. 3684-3690
Ryckaert, J. P., Ciccotti, G., Berendsen, H. J. C., Numerical-integration of cartesian equations of motion of a system with constraints - Molecular-dynamics of N-alkanes (1977) J. Comput. Phys., 23, pp. 327-341
Li, J. -X., Zhang, Y., Imidazoline I-2 receptors: Target for new analgesics? (2011) Eur. J. Pharmacol., 658, pp. 49-56
Hynson, R. M. G., Kelly, S. M., Price, N. C., Ramsay, R. R., Conformational changes in monoamine oxidase A in response to ligand binding or reduction (2004) Biochim. Biophys. Acta, Gen. Subj., 1672, pp. 60-66
Allen, W. J., Bevan, D. R., Steered molecular dynamics simulations reveal important mechanisms in reversible monoamine oxidase B inhibition (2011) Biochemistry, 50, pp. 6441-6454
Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases