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[해외논문] In silico screening of GABA aminotransferase inhibitors from the constituents of Valeriana officinalis by molecular docking and molecular dynamics simulation study

Journal of molecular modeling, v.26 no.9, 2020년, pp.228 -   

Park, Jin-Young ,  Lee, Yuno ,  Lee, Hee Jae ,  Kwon, Yong-Soo ,  Chun, Wanjoo

초록이 없습니다.

참고문헌 (45)

  1. FEBS Lett EG McGeer 186 705 1984 McGeer EG, McGeer PL, Thompson S (1984) Glutamine, glutamate, and GABA in the central nervous system. FEBS Lett 186:705 

  2. J Biol Chem CF Baxter 233 5 1135 1958 10.1016/S0021-9258(19)77353-0 Baxter CF, Roberts E (1958) The gamma-aminobutyric acid-alpha-ketoglutaric acid transaminase of beef brain. J Biol Chem 233(5):1135-1139 

  3. Brain Res RA Bakay 206 2 387 1981 10.1016/0006-8993(81)90539-4 Bakay RA, Harris AB (1981) Neurotransmitter, receptor and biochemical changes in monkey cortical epileptic foci. Brain Res 206(2):387-404. https://doi.org/10.1016/0006-8993(81)90539-4 

  4. J Neurochem J Butterworth 41 2 440 1983 10.1111/j.1471-4159.1983.tb04761.x Butterworth J, Yates CM, Simpson J (1983) Phosphate-activated glutaminase in relation to Huntington’s disease and agonal state. J Neurochem 41(2):440-447. https://doi.org/10.1111/j.1471-4159.1983.tb04761.x 

  5. Jpn J Pharmacol N Nishino 48 3 331 1988 10.1254/jjp.48.331 Nishino N, Fujiwara H, Noguchi-Kuno SA, Tanaka C (1988) GABAA receptor but not muscarinic receptor density was decreased in the brain of patients with Parkinson’s disease. Jpn J Pharmacol 48(3):331-339. https://doi.org/10.1254/jjp.48.331 

  6. Chem Pharm Bull (Tokyo) T Aoyagi 38 6 1748 1990 10.1248/cpb.38.1748 Aoyagi T, Wada T, Nagai M, Kojima F, Harada S, Takeuchi T, Takahashi H, Hirokawa K, Tsumita T (1990) Increased gamma-aminobutyrate aminotransferase activity in brain of patients with Alzheimer’s disease. Chem Pharm Bull (Tokyo) 38(6):1748-1749. https://doi.org/10.1248/cpb.38.1748 

  7. Nature LM Gunne 309 5966 347 1984 10.1038/309347a0 Gunne LM, Haggstrom JE, Sjoquist B (1984) Association with persistent neuroleptic-induced dyskinesia of regional changes in brain GABA synthesis. Nature 309(5966):347-349. https://doi.org/10.1038/309347a0 

  8. Am J Health Syst Pharm SL Plushner 57 4 328 2000 10.1093/ajhp/57.4.328 Plushner SL (2000) Valerian: Valeriana officinalis. Am J Health Syst Pharm 57(4):328, 333, 335. https://doi.org/10.1093/ajhp/57.4.328 

  9. J Ethnopharmacol PJ Houghton 22 2 121 1988 10.1016/0378-8741(88)90123-7 Houghton PJ (1988) The biological activity of valerian and related plants. J Ethnopharmacol 22(2):121-142. https://doi.org/10.1016/0378-8741(88)90123-7 

  10. Can J Physiol Pharmacol R Awad 85 9 933 2007 10.1139/Y07-083 Awad R, Levac D, Cybulska P, Merali Z, Trudeau VL, Arnason JT (2007) Effects of traditionally used anxiolytic botanicals on enzymes of the gamma-aminobutyric acid (GABA) system. Can J Physiol Pharmacol 85(9):933-942. https://doi.org/10.1139/Y07-083 

  11. Neurochem Res JG Ortiz 24 11 1373 1999 10.1023/a:1022576405534 Ortiz JG, Nieves-Natal J, Chavez P (1999) Effects of Valeriana officinalis extracts on [3H]flunitrazepam binding, synaptosomal [3H]GABA uptake, and hippocampal [3H]GABA release. Neurochem Res 24(11):1373-1378. https://doi.org/10.1023/a:1022576405534 

  12. Arch Int Pharmacodyn Ther MS Santos 327 2 220 1994 Santos MS, Ferreira F, Cunha AP, Carvalho AP, Ribeiro CF, Macedo T (1994) Synaptosomal GABA release as influenced by valerian root extract--involvement of the GABA carrier. Arch Int Pharmacodyn Ther 327(2):220-231 

  13. BMC Complement Altern Med A Becker 14 267 2014 10.1186/1472-6882-14-267 Becker A, Felgentreff F, Schroder H, Meier B, Brattstrom A (2014) The anxiolytic effects of a valerian extract is based on valerenic acid. BMC Complement Altern Med 14:267. https://doi.org/10.1186/1472-6882-14-267 

  14. J Pharmacol Exp Ther S Khom 357 3 580 2016 10.1124/jpet.116.232983 Khom S, Hintersteiner J, Luger D, Haider M, Pototschnig G, Mihovilovic MD, Schwarzer C, Hering S (2016) Analysis of beta-subunit-dependent GABAA receptor modulation and behavioral effects of valerenic acid derivatives. J Pharmacol Exp Ther 357(3):580-590. https://doi.org/10.1124/jpet.116.232983 

  15. Mol Cell DW Kim 18 3 314 2004 10.1016/S1016-8478(23)13118-9 Kim DW, Yoon CS, Eum WS, Lee BR, An JJ, Lee SH, Lee SR, Ahn JY, Kwon OS, Kang TC, Won MH, Cho SW, Lee KS, Park J, Choi SY (2004) Site-directed mutagenesis of human brain GABA transaminase: lysine-357 is involved in cofactor binding at the active site. Mol Cell 18(3):314-319 

  16. J Biol Chem P Storici 279 1 363 2004 10.1074/jbc.M305884200 Storici P, De Biase D, Bossa F, Bruno S, Mozzarelli A, Peneff C, Silverman RB, Schirmer T (2004) Structures of gamma-aminobutyric acid (GABA) aminotransferase, a pyridoxal 5′-phosphate, and [2Fe-2S] cluster-containing enzyme, complexed with gamma-ethynyl-GABA and with the antiepilepsy drug vigabatrin. J Biol Chem 279(1):363-373. https://doi.org/10.1074/jbc.M305884200 

  17. Biochemistry P Storici 38 27 8628 1999 10.1021/bi990478j Storici P, Capitani G, De Biase D, Moser M, John RA, Jansonius JN, Schirmer T (1999) Crystal structure of GABA-aminotransferase, a target for antiepileptic drug therapy. Biochemistry 38(27):8628-8634. https://doi.org/10.1021/bi990478j 

  18. J Neurochem MJ Jung 29 5 797 1977 10.1111/j.1471-4159.1977.tb10721.x Jung MJ, Lippert B, Metcalf BW, Bohlen P, Schechter PJ (1977) gamma-Vinyl GABA (4-amino-hex-5-enoic acid), a new selective irreversible inhibitor of GABA-T: effects on brain GABA metabolism in mice. J Neurochem 29(5):797-802. https://doi.org/10.1111/j.1471-4159.1977.tb10721.x 

  19. J Neurochem GA Johnston 24 1 157 1975 10.1111/j.1471-4159.1975.tb07642.x Johnston GA, Curtis DR, Beart PM, Game CJ, McCulloch RM, Twitchin B (1975) Cis- and trans-4-aminocrotonic acid as GABA analogues of restricted conformation. J Neurochem 24(1):157-160. https://doi.org/10.1111/j.1471-4159.1975.tb07642.x 

  20. Brain Res F Schon 66 2 289 1974 10.1016/0006-8993(74)90147-4 Schon F, Kelly JS (1974) The characterisation of [3H]GABA uptake into the satellite glial cells of rat sensory ganglia. Brain Res 66(2):289-900 

  21. J Pharm Pharmacol GA Johnston 29 4 240 1977 10.1111/j.2042-7158.1977.tb11297.x Johnston GA, Stephanson AL, Twitchin B (1977) Piperazic acid and related compounds as inhibitors of GABA uptake in rat brain slices. J Pharm Pharmacol 29(4):240-241. https://doi.org/10.1111/j.2042-7158.1977.tb11297.x 

  22. Acta Chem Scand L Brehm 26 3 1298 1972 10.3891/acta.chem.scand.26-1298 Brehm L, Hjeds H, Krogsgaard-Larsen P (1972) The structure of muscimol, a GABA analogue of restricted conformation. Acta Chem Scand 26(3):1298-1299. https://doi.org/10.3891/acta.chem.scand.26-1298 

  23. Nature P Krogsgaard-Larsen 268 5615 53 1977 10.1038/268053a0 Krogsgaard-Larsen P, Johnston GA, Lodge D, Curtis DR (1977) A new class of GABA agonist. Nature 268(5615):53-55. https://doi.org/10.1038/268053a0 

  24. Nat New Biol PM Beart 234 46 80 1971 10.1038/newbio234080a0 Beart PM, Curtis DR, Johnston GA (1971) 4-aminotetrolic acid: new conformational-restricted analogue of -aminobutyric acid. Nat New Biol 234(46):80-81. https://doi.org/10.1038/newbio234080a0 

  25. Methods Enzymol RB Silverman 249 240 1995 10.1016/0076-6879(95)49038-8 Silverman RB (1995) Mechanism-based enzyme inactivators. Methods Enzymol 249:240-283. https://doi.org/10.1016/0076-6879(95)49038-8 

  26. J Med Chem SM Nanavati 32 11 2413 1989 10.1021/jm00131a001 Nanavati SM, Silverman RB (1989) Design of potential anticonvulsant agents: mechanistic classification of GABA aminotransferase inactivators. J Med Chem 32(11):2413-2421. https://doi.org/10.1021/jm00131a001 

  27. Eur J Biochem B Lippert 74 3 441 1977 10.1111/j.1432-1033.1977.tb11410.x Lippert B, Metcalf BW, Jung MJ, Casara P (1977) 4-amino-hex-5-enoic acid, a selective catalytic inhibitor of 4-aminobutyric-acid aminotransferase in mammalian brain. Eur J Biochem 74(3):441-445. https://doi.org/10.1111/j.1432-1033.1977.tb11410.x 

  28. Ann Pharmacother BE Gidal 33 12 1277 1999 10.1345/aph.18376 Gidal BE, Privitera MD, Sheth RD, Gilman JT (1999) Vigabatrin: a novel therapy for seizure disorders. Ann Pharmacother 33(12):1277-1286. https://doi.org/10.1345/aph.18376 

  29. CNS Drugs R Kalviainen 15 3 217 2001 10.2165/00023210-200115030-00005 Kalviainen R, Nousiainen I (2001) Visual field defects with vigabatrin: epidemiology and therapeutic implications. CNS Drugs 15(3):217-230. https://doi.org/10.2165/00023210-200115030-00005 

  30. Cent Nerv Syst Agents Med Chem B Mathew 17 1 58 2016 10.2174/1871524916666160104143108 Mathew B, Mathew GE, Suresh J, Usman D, Shiva Subramanyan PN, Safna KF (2016) Ligand based drug design of new heterocyclic imines of GABA analogues: a molecular docking approach for the discovery of new GABA-AT inhibitors. Cent Nerv Syst Agents Med Chem 17(1):58-63 

  31. Brain Res Bull B Meldrum 5 579 1980 10.1016/0361-9230(80)90094-5 Meldrum B (1980) Mechanism of action of valproate. Brain Res Bull 5:579-584 

  32. (2009) Chemical intormation review document for valerian 

  33. Nucleic Acids Res F Madeira 47 W1 W636 2019 10.1093/nar/gkz268 Madeira F, Park YM, Lee J, Buso N, Gur T, Madhusoodanan N, Basutkar P, Tivey ARN, Potter SC, Finn RD, Lopez R (2019) The EMBL-EBI search and sequence analysis tools APIs in 2019. Nucleic Acids Res 47(W1):W636-W641. https://doi.org/10.1093/nar/gkz268 

  34. Accelrys Software Inc DISCOVERY STUDIO. Accelrys, San Diego, CA 

  35. Structure GJ Kleywegt 4 12 1395 1996 10.1016/s0969-2126(96)00147-5 Kleywegt GJ, Jones TA (1996) Phi/psi-chology: Ramachandran revisited. Structure 4(12):1395-1400. https://doi.org/10.1016/s0969-2126(96)00147-5 

  36. Protein Sci C Colovos 2 1511 1993 10.1002/pro.5560020916 Colovos C, Yeates TO (1993) Verification of protein structures: patterns of nonbonded atomic interactions. Protein Sci 2:1511-1519 

  37. J Comput Chem EF Pettersen 25 13 1605 2004 10.1002/jcc.20084 Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF chimera--a visualization system for exploratory research and analysis. J Comput Chem 25(13):1605-1612. https://doi.org/10.1002/jcc.20084 

  38. Arab J Chem H Iftikhar 10 S1267 2017 10.1016/j.arabjc.2013.03.007 Iftikhar H, Batool S, Deep A, Narasimhan B, Sharma PC, Malhotra M (2017) In silico analysis of the inhibitory activities of GABA derivatives on 4-aminobutyrate transaminase. Arab J Chem 10:S1267-S1275. https://doi.org/10.1016/j.arabjc.2013.03.007 

  39. Protein Eng AC Wallace 8 2 127 1995 10.1093/protein/8.2.127 Wallace AC, Laskowski RA, Thornton JM (1995) LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng 8(2):127-134. https://doi.org/10.1093/protein/8.2.127 

  40. Comput Phys Commun HJC Berendsen 91 1-3 43 1995 10.1016/0010-4655(95)00042-E Berendsen HJC, van der Spoel D, van Drunen R (1995) GROMACS: a message-passing parallel molecular dynamics implementation. Comput Phys Commun 91(1-3):43-56 

  41. David van der Spoel, E. Lindahl, Berk Hess, Buuren ARv, Apol E, Meulenhoff PJ, Tieleman DP, Sijbers ALTM, Feenstra KA, Drunen RV, Berendsen HJC (2006) GROMACS user manual version 3.3 department of biophysical chemistry. University of Groningen Nijenborgh 4,9747 

  42. J Comput Chem S Jo 29 11 1859 2008 10.1002/jcc.20945 Jo S, Kim T, Iyer VG, Im W (2008) CHARMM-GUI: a web-based graphical user interface for CHARMM. J Comput Chem 29(11):1859-1865. https://doi.org/10.1002/jcc.20945 

  43. 10.1016/0263-7855(96)00018-5 Humphrey W, Dalke A, Schulten K (1996) VMD: visual molecular dynamics. J Mol Graph 14(1):33-38, 27-38 https://doi.org/10.1016/0263-7855(96)00018-5 

  44. Egypt J Basic Appl Sci S Vijayakumar 5 3 210 2018 10.1016/j.ejbas.2018.05.008 Vijayakumar S, Kasthuri G, Prabhu S, Manogar P, Parameswari N (2018) Screening and identification of novel inhibitors against human 4-aminobutyrate-aminotransferase: a computational approach. Egypt J Basic Appl Sci 5(3):210-219 

  45. PLoS One Y Lee 9 1 e85827 2014 10.1371/journal.pone.0085827 Lee Y, Kim S, Kim JY, Arooj M, Kim S, Hwang S, Kim BW, Park KH, Lee KW (2014) Binding mode analyses and pharmacophore model development for stilbene derivatives as a novel and competitive class of alpha-glucosidase inhibitors. PLoS One 9(1):e85827. https://doi.org/10.1371/journal.pone.0085827 

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