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TitleFine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Journal, issue, pagesAntioxidants (Basel), Vol. 10, Year 2021
Publish dateJul 28, 2020 (structure data deposition date)
AuthorsChavarria, D. / Da Silva, O. / Benfeito, S. / Barreiro, S. / Garrido, J. / Cagide, F. / Soares, P. / Remiao, F. / Brazzolotto, X. / Nachon, F. ...Chavarria, D. / Da Silva, O. / Benfeito, S. / Barreiro, S. / Garrido, J. / Cagide, F. / Soares, P. / Remiao, F. / Brazzolotto, X. / Nachon, F. / Oliveira, P.J. / Dias, J. / Borges, F.
External linksAntioxidants (Basel) / PubMed:33672269
MethodsX-ray diffraction
Resolution1.85 - 3 Å
Structure data

PDB-6zwe:
Crystal structure of human acetylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-6zwi:
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

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

ChemComp-QRH:
(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide

ChemComp-SO4:
SULFATE ION

ChemComp-BR:
BROMIDE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

ChemComp-LEA:
PENTANOIC ACID

Source
  • homo sapiens (human)
KeywordsHYDROLASE / human acetylcholinesterase / piperine derivative / mitochondria / Butyrylcholinesterase / inhibitor

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