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Volumn 12, Issue 24, 2002, Pages 3629-3633

Inhibition of amine oxidases activity by 1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives

Author keywords

[No Author keywords available]

Indexed keywords

1 ACETYL 3 (2,4 DIHYDROXYPHENYL) 5 (3 METHYLPHENYL) 4,5 DIHYDRO (1H) PYRAZOLE; 1 ACETYL 3,5 DIPHENYL 4,5 DIHYDRO (1H) PYRAZOLE; AMINE OXIDASE (FLAVIN CONTAINING); KIDNEY ENZYME; MONOAMINE OXIDASE INHIBITOR; OXIDOREDUCTASE; UNCLASSIFIED DRUG; AMINE OXIDASE (COPPER CONTAINING); PYRAZOLE DERIVATIVE;

EID: 18744407545     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(02)00699-6     Document Type: Article
Times cited : (116)

References (28)
  • 7
    • 0026520063 scopus 로고
    • Jucker, E., Ed.; Birkhauser: Bael, Switzerland
    • Cesura, A. M.; Pletscher, A. In Progress in Drug Research; Jucker, E., Ed.; Birkhauser: Bael, Switzerland; 1992, Vol. 38, p 171.
    • (1992) Progress in Drug Research , vol.38 , pp. 171
    • Cesura, A.M.1    Pletscher, A.2
  • 14
    • 0011397414 scopus 로고    scopus 로고
    • note
    • 12b.
  • 15
    • 0011491065 scopus 로고    scopus 로고
    • note
    • i) of the inhibitors. Data are the means of three or more experiments each of them performed in duplicate.
  • 21
    • 0011502029 scopus 로고    scopus 로고
    • MAO-B (PDB Id. 1GOS)
    • http://www.rcsb.org/pdb/: MAO-B (PDB Id. 1GOS).
  • 25
    • 0011399933 scopus 로고    scopus 로고
    • 22 The 6-MAO complexes found in the MCMM procedure were subjected to energy minimization until a derivative convergence of 0.01 kJ/Å-mol was reached. A set of 16 atoms of the inhibitor was selected in order to compare each new minimized output structure with all the previous minima. All the complexes, whose minimum-energy was more than 100.0 kJ/mol over those previously found, were rejected. Two further constraints were imposed in performing energy minimization of the complexes: (a) in addition to the inhibitor, the side chains of 12 residues inside the subset and located on the walls of the active site and isoalloxazine (see the text) were fully minimized to guarantee the complementarity between the surfaces of the two partners; (b) all the other atoms of the internal subset were fixed in 3-D space, even though their non-bonding interactions with all the relaxing atoms were calculated.
  • 28
    • 0011498494 scopus 로고    scopus 로고
    • note
    • In this binding mode, incidentally, an intramolecular H-bond between the pyrazole nitrogen and the OH group in position 2 of the disubstituted phenyl ring of 6 was not retained, which was detected in the lowest energy conformation in the gas phase (see the Graphical Abstract).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.