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TitleMultitarget Drug Design Strategy: Quinone-Tacrine Hybrids Designed To Block Amyloid-beta Aggregation and To Exert Anticholinesterase and Antioxidant Effects.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 8576-8589, Year 2014
Publish dateJun 27, 2014 (structure data deposition date)
AuthorsNepovimova, E. / Uliassi, E. / Korabecny, J. / Pena-Altamira, L.E. / Samez, S. / Pesaresi, A. / Garcia, G.E. / Bartolini, M. / Andrisano, V. / Bergamini, C. ...Nepovimova, E. / Uliassi, E. / Korabecny, J. / Pena-Altamira, L.E. / Samez, S. / Pesaresi, A. / Garcia, G.E. / Bartolini, M. / Andrisano, V. / Bergamini, C. / Fato, R. / Lamba, D. / Roberti, M. / Kuca, K. / Monti, B. / Bolognesi, M.L.
External linksJ. Med. Chem. / PubMed:25259726
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-4tvk:
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A CHLOROTACRINE-JUGLONE HYBRID INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-TJH:
2-({2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethyl}amino)-5-hydroxynaphthalene-1,4-dione

ChemComp-HOH:
WATER

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / multitarget drug / enzyme-inhibitor complex / tacrine / quinone

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