Identification of aldehyde dehydrogenase 1A1 modulators using virtual screening

Journal of Enzyme Inhibition and Medicinal Chemistry

Volumn 28, Issue 3, 2013, Pages 489-494

  Kotraiah, Vinayaka ^a   Pallares, Diego ^b   Toema, Deanna ^a   Kong, Dehe ^a   Beausoleil, Eric ^b  

^a Exonhit Inc   (United States)

^b Exonhit   (France)

Author keywords

Activator; ALDH1A1; ALDH2; Parkinson's disease; Transcriptome; Virtual screening

Indexed keywords

3,4 DIHYDROXYPHENYLACETALDEHYDE; ALDA 1; ALDEHYDE; ALDEHYDE DEHYDROGENASE; ALDEHYDE DEHYDROGENASE 1A1; ALDEHYDE DEHYDROGENASE 1A1 ACTIVATOR; ALDEHYDE DEHYDROGENASE 1A1 INHIBITOR; ENZYME ACTIVATOR; ENZYME INHIBITOR; MESSENGER RNA; UNCLASSIFIED DRUG; ACETALDEHYDE; ALDEHYDE DEHYDROGENASE ISOENZYME 1; ALDEHYDE DEHYDROGENASE ISOENZYME 2; ALDEHYDE DERIVATIVE; PROPIONALDEHYDE;

ARTICLE; CONCENTRATION RESPONSE; DOWN REGULATION; DRUG BINDING SITE; DRUG SCREENING; ENZYME ACTIVATION; ENZYME ASSAY; ENZYME INACTIVATION; GENE EXPRESSION REGULATION; HUMAN; HUMAN TISSUE; MICROARRAY ANALYSIS; PARKINSON DISEASE; PRIORITY JOURNAL; SUBSTANTIA NIGRA; TISSUE MICROARRAY; ALTERNATIVE RNA SPLICING; CLINICAL ARTICLE; CONTROLLED STUDY; EC50; ENZYME ACTIVITY; ENZYME ANALYSIS; EXON; FLUORESCENCE; GENE EXPRESSION; GENE IDENTIFICATION; GENETIC CODE; GENETIC TRANSCRIPTION; IN SITU HYBRIDIZATION; IN VITRO STUDY; LIVER; NUCLEOTIDE SEQUENCE; SCREENING; VIRTUAL SCREENING;

3,4-DIHYDROXYPHENYLACETIC ACID; ALDEHYDE DEHYDROGENASE; BENZAMIDES; BENZODIOXOLES; BINDING SITES; CASE-CONTROL STUDIES; ENZYME ACTIVATION; GENE EXPRESSION REGULATION, ENZYMOLOGIC; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PARKINSON DISEASE; SMALL MOLECULE LIBRARIES; SUBSTANTIA NIGRA; USER-COMPUTER INTERFACE;

EID: 84875402617     PISSN: 14756366     EISSN: 14756374     Source Type: Journal    
DOI: 10.3109/14756366.2011.653353     Document Type: Article

References (20)

1. Black W, Vasiliou V. The aldehyde dehydrogenase gene superfamily resource center. Hum Genomics 2009;4:136-142.
2. Westlund KN, Denney RM, Kochersperger LM, Rose RM, Abell CW. Distinct monoamine oxidase A and B populations in primate brain. Science 1985;230:181-183.
3. Maring JA, Deitrich RA, Little R. Partial purification and properties of human brain aldehyde dehydrogenases. J Neurochem 1985;45:1903-1910.
4. Choudhary S, Xiao T, Srivastava S, Zhang W, Chan LL, Vergara LA et al. Toxicity and detoxification of lipid-derived aldehydes in cultured retinal pigmented epithelial cells. Toxicol Appl Pharmacol 2005;204:122-134.
5. Zhang M, Shoeb M, Goswamy J, Liu P, Xiao TL, Hogan D et al. Overexpression of aldehyde dehydrogenase 1A1 reduces oxidationinduced toxicity in SH-SY5Y neuroblastoma cells. J Neurosci Res 2010;88:686-694.
6. Mandel S, Grunblatt E, Riederer P, Amariglio N, Jacob-Hirsch J, Rechavi G et al. Gene expression profiling of sporadic Parkinson's disease substantia nigra pars compacta reveals impairment of ubiquitin-proteasome subunits, SKP1A, aldehyde dehydrogenase, and chaperone HSC-70. Ann N Y Acad Sci 2005;1053: 356-375.
7. Galter D, Buervenich S, Carmine A, Anvret M, Olson L. ALDH1 mRNA: Presence in human dopamine neurons and decreases in substantia nigra in Parkinson's disease and in the ventral tegmental area in schizophrenia. Neurobiol Dis 2003;14:637-647.
8. Werner CJ, Heyny-von Haussen R, Mall G, Wolf S. Proteome analysis of human substantia nigra in Parkinson's disease. Proteome Sci 2008;6:8.
9. MacKerell AD Jr, Pietruszko R. Chemical modification of human aldehyde dehydrogenase by physiological substrate. Biochim Biophys Acta 1987;911:306-317.
10. Chen CH, Budas GR, Churchill EN, Disatnik MH, Hurley TD, Mochly-Rosen D. Activation of aldehyde dehydrogenase-2 reduces ischemic damage to the heart. Science 2008;321:1493-1495.
11. Burke WJ, Kumar VB, Pandey N, Panneton WM, Gan Q, Franko MW et al. Aggregation of alpha-synuclein by DOPAL, the monoamine oxidase metabolite of dopamine. Acta Neuropathol 2008;115:193-203.
12. Moore SA, Baker HM, Blythe TJ, Kitson KE, Kitson TM, Baker EN. Sheep liver cytosolic aldehyde dehydrogenase: The structure reveals the basis for the retinal specificity of class 1 aldehyde dehydrogenases. Structure 1998;6:1541-1551.
13. Perez-Miller S, Younus H, Vanam R, Chen CH, Mochly-Rosen D, Hurley TD. Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant. Nat Struct Mol Biol 2010;17:159-164.
14. Zhou W, Calciano MA, Jordan H, Brenner M, Johnson S, Wu D et al. High resolution analysis of the human transcriptome: Detection of extensive alternative splicing independent of transcriptional activity. BMC Genet 2009;10:63.
15. Thomsen R, Christensen MH. MolDock: A new technique for highaccuracy molecular docking. J Med Chem 2006;49:3315-3321. Life Chemicals Inc., Burlington, Canada.
16. Lazaridis T, Masunov A, Gandolfo F. Contributions to the binding free energy of ligands to avidin and streptavidin. Proteins 2002;47:194-208.
17. Arolfo MP, Overstreet DH, Yao L, Fan P, Lawrence AJ, Tao G et al. Suppression of heavy drinking and alcohol seeking by a selective ALDH-2 inhibitor. Alcohol Clin Exp Res 2009;33:1935-1944.
18. Ziouzenkova O, Orasanu G, Sharlach M, Akiyama TE, Berger JP, Viereck J et al. Retinaldehyde represses adipogenesis and dietinduced obesity. Nat Med 2007;13:695-702.
19. Yao L, Fan P, Arolfo M, Jiang Z, Olive MF, Zablocki J et al. Inhibition of aldehyde dehydrogenase-2 suppresses cocaine seeking by generating THP, a cocaine use-dependent inhibitor of dopamine synthesis. Nat Med 2010;16:1024-1028.
20. Eaton P, Li JM, Hearse DJ, Shattock MJ. Formation of 4-hydroxy-2-nonenal- modified proteins in ischemic rat heart. Am J Physiol 1999;276:H935-H943.