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TitleDesign, synthesis, and biological evaluation of chalcone derivatives as selective Monoamine Oxidase-B inhibitors with potential neuroprotective effects.
Journal, issue, pagesEur. J. Med. Chem., Vol. 298, Page 117990-117990, Year 2025
Publish dateApr 30, 2025 (structure data deposition date)
AuthorsFacchetti, G. / Marchese, S. / Cocce, V. / Doneda, L. / Alessandri, G. / Paino, F. / Pessina, A. / Pinzi, L. / Rastelli, G. / Binda, C. ...Facchetti, G. / Marchese, S. / Cocce, V. / Doneda, L. / Alessandri, G. / Paino, F. / Pessina, A. / Pinzi, L. / Rastelli, G. / Binda, C. / Christodoulou, M.S. / Rimoldi, I.
External linksEur. J. Med. Chem. / PubMed:40738081
MethodsX-ray diffraction
Resolution1.6 - 1.8 Å
Structure data

PDB-9r2j:
Crystal structure of human MAO B in complex with (E)-3-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (chalcone inhibitor, 4a)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9r3j:
Crystal structure of human MAO B in complex with (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (chalcone inhibitor, 4e)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-9r3k:
Crystal structure of human MAO B in complex with ((E)-3-(3-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (4b)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-C15:
N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE

PDB-1jco:
Solution structure of the monomeric [Thr(B27)->Pro,Pro(B28)->Thr] insulin mutant (PT insulin)

ChemComp-HOH:
WATER

PDB-1jc8:
Solution structure of lactam analogue (DDap) of gp41 600-612 loop of HIV

PDB-1jc6:
SOLUTION STRUCTURE OF BUNGARUS FACIATUS IX, A KUNITZ-TYPE CHYMOTRYPSIN INHIBITOR

Source
  • homo sapiens (human)
KeywordsFLAVOPROTEIN / monoamine oxidase / chalcone / neuroprotective drug

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