Computer modelling of monoaminoxidases
Veselovsky A.V.1 , Ivanov A.S.1 , Medvedev A.E.1 1. Institute of Biomedical Chemistry, Moscow, Russia Section: Review DOI: 10.18097/PBMC20156102265 PubMed Id: 25978392
Year: 2015 Volume: 61 Issue : 2 Pages: 265-271 The article summarized results of studies on active site structures of monoamine oxidases (MAO) performed in the Institute of Biomedical Chemistry (Russia) by computer modelling approaches. MAO, catalyzing the reaction of oxidative deamination of major neurotransmitter monoamines, exists in two highly homologous forms, MAO A and MAO B, distinguished by substrate specificity and inhibitor selectivity. The development of approaches for active site modelling of these enzymes (with unknown three-dimensional structures) started from analysis of relationship between the geometrical sizes of rigid indole and isatin derivatives and their inhibitory activity. These studies resulted in molding of the active site structures of MAO A and MAO B. These molds reflect the sizes and shapes of active sites of these enzymes. These mold models have been used for virtual screening of molecular databases for new inhibitors. The models obtained at different stages ofMAO investigations have been compared with recently appeared three-dimensional structures of MAO A and MAO B.Download PDF: Keywords: monoamine oxidase, MAO, computer modelling, active site, inhibitors
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Veselovsky A.V., Ivanov A.S., Medvedev A.E. (2015) Computer modelling of monoaminoxidases. Biomeditsinskaya Khimiya, 61 (2), 265-271.
Veselovsky A.V. et al. Computer modelling of monoaminoxidases // Biomeditsinskaya Khimiya. - 2015. - V. 61. -N 2. - P. 265-271.
Veselovsky A.V. et al., "Computer modelling of monoaminoxidases." Biomeditsinskaya Khimiya 61.2 (2015): 265-271.
Veselovsky, A. V., Ivanov, A. S., Medvedev, A. E. (2015). Computer modelling of monoaminoxidases. Biomeditsinskaya Khimiya , 61(2), 265-271.
This paper is also available as the English translation: 10.1134/S1990750815030105
References Show
Gorkin V.Z. (1972) Adv. Biochem. Psychopharmacol., 5, 55-65. Scholar google search Gorkin V.Z. (1981) Aminoksidazy i ikh znachenie v meditsine, Meditsina, M., 333 s. Scholar google search Medvedev A.E., Tipton K.F. (1997) Voprosy meditsinskoi khimii, 43(6), 471-481. Scholar google search Medvedev A., Kirkel A., Kamyshanskaya N., Gorkin V. (1993) Int. J. Biochem., 25, 1791-1799. CrossRef Scholar google search Medevedev A.E., Gorkin V.Z. (1994) Int. J. Devel. Neurosci., 12, 151-155. CrossRef Scholar google search Medvedev A., Gorkin V., Shvedov V., Fedotova O., Fedotova I., Semiokhina A. (1992) Drug Investigation, 4, 501-507. CrossRef Scholar google search Medvedev A.E., Kirkel A.A., Kamyshanskaya N.S., Moskvitina T.A., Axenova L.N., Gorkin V.Z., Andreeva N.I., Golovina S.M., Mashkovsky M.D. (1994) Biochem. Pharmacol., 47, 303-308. CrossRef Scholar google search Shih J.S., Chen K., Ridd M.J. (1999) Annu. Rev. Neurosci., 22, 197-217. Scholar google search Abell C. W., Kwan S.-W. (2001) Prog. Nucleic Acid Res. Mol. Biol., 65, 129-156. CrossRef Scholar google search Gorkin V.Z., Medvedev A.E. (1995) V kn.: Belki i peptidy. T. 1., Nauka, M., ss. 83-89. Scholar google search Wouters J. (1998) Curr. Med. Chem., 5, 137-162. Scholar google search Jegham S., George P. (1998) Exp. Opin. Ther. Patents., 8, 1143-1150. CrossRef Scholar google search Yamada M., Yasuhara H. (2004) Neurotoxicology., 25, 215-221. CrossRef Scholar google search Cesura A.M., Pletscher A. (1992) Progr. Drug. Res., 38, 171-297. Scholar google search Blanco C., Antia S.X., Liebowitz M.R. (2002) Biol. Psychiatry, 51, 109-120. CrossRef Scholar google search Chiap P., Ceccato A., Gora R., Hubert Ph., Geczy J., Crommen J. (2002) J. Pharmaceut. Biomed. Analysis, 27, 447-455. CrossRef Scholar google search Medvedev A.E., Ivanov A.S., Kamyshanskaya N.S., Kirkel A.Z., Moskvitina T.A., Gorkin V.Z., Li H.Y., Marshakov V.Yu. (1995) Biochem. Mol. Biol. Internat., 36, 113-122. Scholar google search Ivanov A.S., Medvedev A.E., Lyulkin Y.A., Skvortsov V.S., Rumjantsev A.B., Gorkin V.Z. (1994) In: 14th European workshop on drug metabolism, Paris, France, 4-8 July 1994, 66. Scholar google search Wouters J., Moureau F., Vercauteren D.P., Evrard G., Durant F., Koenig J.J., Ducrey F., Jarreau F.X. (1994) J. Neural. Transmission, Suppl., 41, 313-319. Scholar google search Veselovsky A.V., Ivanov A.S., Medvedev A.E. (1997) Voprosy meditsinskoi khimii, 43(6), 527-536. Scholar google search Medvedev A.E., Veselovsky A.V., Shvedov V.I., Tikhonova O.V., Moskvitina T.A., Fedotova O.A., Axenova L.N., Kamyshanskaya N.S., Kirkel A.Z., Ivanov A.S. (1998) J. Chem. Inf. Comp. Sci., 38, 1137-1144. CrossRef Scholar google search Krueger M.J., Efange S.M.N., Michelson R.H., Singer T.P. (1992) Biochemistry, 31, 5611-5615. CrossRef Scholar google search Krueger M.J., Mazouz F., Ramsay R.R., Milcent R., Singer T.P. (1995) Biochem. Biophys. Res. Commun., 206, 556-562. Scholar google search Medvedev A.E., Ivanov A.S., Veselovsky A.V., Skvortsov V.S., Archakov A.I. (1996) J. Chem. Inf. Comp. Sci., 36, 664-671. CrossRef Scholar google search Veselovskij A.V., Medvedev A.E., Tikhonova O.V., Skvortsov V.S., Ivanov A.S. (2000) Biokhimiya, 65, 1072-1079. Scholar google search Tikhonova O.V., Ivanov A.S., Medvedev A.E., Veselovsky A.V. (2001) Voprosy meditsinskoi khimii, 47(6), 642-651. Scholar google search Mabic S., Castagnoli N.Jr. (1996) J. Med. Chem., 39, 3694-3700. CrossRef Scholar google search Palmer S.L., Mabic S., Castagnoli N.Jr. (1997) J. Med. Chem., 40, 1982-1989. CrossRef Scholar google search Binda C., Newton-Vinson P., Hubálek F., Edmondson D.E., Mattevi A. (2002) Nat. Struct. Biol., 9, 22-26. CrossRef Scholar google search Walker M.C., Edmondson D.E. (1994) Biochemistry, 33, 7088-7098. CrossRef Scholar google search Altomare C., Carrupt P.A., Gaillard P., el Tayar N., Testa B., Carotti A. (1992) Chem. Res. Toxicol., 5, 366-375. CrossRef Scholar google search Altomare C., Cellamare S., Summo L., Catto M., Carotti A., Thull U., Carrupt P.A., Testa B., Stoeckli-Evans H. (1998) J. Med. Chem., 41, 3812-3820. CrossRef Scholar google search Ooms F., Wouters J., Collin S., Durant F., Jegham S., George P. (1998) Bioorg. Med. Chem. Lett., 8, 1425-1430. CrossRef Scholar google search Veselovskij A.V., Ivanov A.S., Medvedev A.E. (1998) Biokhimiya, 63, 1695-1701. Scholar google search Medvedev A.E., Ivanov A.S., Veselovskij A.V. (2001) Biokhimiya, 66, 718-720. Scholar google search Ivanov A.S., Veselovsky A.V., Dubanov A.V., Skvortsov V.S. (2006) In: Methods in Molecular Biology, 316. Bioinformatics and Drug Discovery. (Larson R.S., ed.) Humana Press Inc., Totowa, NJ, USA, pp. 389-431. CrossRef Scholar google search Skvortsov V.S., Ivanov A.S., Belkina N.V., Sechenykh A.A., SHkrob A.M., Veselovskij A.V. (2005) DockSearch 3.2, Rospatent, N 2005610707 ot 27.01.05. Scholar google search Severina I.S., Aksenova L.N., Veselovskij A.V., Pyatakova N.V., Buneeva O.A., Ivanov A.S., Medvedev A.E. (2003) Biokhimiya, 68, 1280-1286. Scholar google search Tipton K.F. (1997) Voprosy meditsinskoi khimii, 43(6), 494-503. Scholar google search Feighner J.P. (1999) J. Clin. Psychiatry, 60(Suppl. 4), 4-11. CrossRef Scholar google search Glover V. (1997) In: Antidepressants: New Pharmacological Strategies (Skolnick Ph., ed.) Humana Press, Totowa, NJ, USA, pp. 69-80. CrossRef Scholar google search Youdim M.B.H., Weinstock M. (2004) Neurotoxicology, 25, 243-250. CrossRef Scholar google search Medvedev A., Byssygina O., Pyatakova N., Glover V., Severina I.S. (2002) Biochem. Pharmacol., 63, 763-766. CrossRef Scholar google search Thomas T., McLendon C., Thomas G. (1998) Neuroreport, 9, 2595-2600. CrossRef Scholar google search Busygina O.G., Pyatakova N.V., KHropov YU.V., Ovchinnikov I.V., Makhova N.N., Severina I.S. (2000) Biokhimiya, 65, 540-546. Scholar google search Pyatakova N.V., KHropov YU.V., CHurakov A.M., Tarasova R.I., Serezhenkov V.A., Vanin A.F., Tartakovskij V.A., Severina I.S. (2002) Biokhimiya, 67, 329-334. CrossRef Scholar google search Ferino G., Vilar S., Matos M.J., Uriarte E., Cadoni E. (2012) Curr. Top Med. Chem., 12, 2145-2162. CrossRef Scholar google search Allen W.J., Bevan D.R. (2011) Biochemistry, 50, 6441-6454. CrossRef Scholar google search Apostolov R., Yonezawa Y., Standley D.M., Kikugawa G., Takano Y., Nakamura H. (2009) Biochemistry, 48, 5864-5873. CrossRef Scholar google search Medvedev A.E., Veselovskij A.V., Fedchenko V.I. (2010) Biokhimiya, 75, 1045-1054. Scholar google search Wang J., Qi S., Cheng W., Li L., Wang F., Li Y.Z., Zhang S.P. (2008) Mol. Biol. Rep., 35, 613-620. CrossRef Scholar google search Baroni S., Milani M., Pandini V., Pavesi G., Horner D., Aliverti A. (2013) Curr. Pharm. Des., 19, 2540-2551. CrossRef Scholar google search