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Volumn 14, Issue 21, 2006, Pages 7205-7212

Ester derivatives of annulated tetrahydroazocines: A new class of selective acetylcholinesterase inhibitors

Author keywords

Acetylcholinesterase inhibitors; Annulated azocines; Structure activity relationships

Indexed keywords

ACETYLCHOLINESTERASE; AMINE OXIDASE (FLAVIN CONTAINING); AZOCINE DERIVATIVE; CHOLINESTERASE; CHOLINESTERASE INHIBITOR; DIMETHYL 3 ETHYL 6 BENZYL 2,3,6,7 TETRAHYDRO 1H AZOCINO[5,4 B]INDOLE 4,5 DICARBOXYLATE; ETHYL 3 ETHYL 2,3,4,5,6,11 HEXAHYDRO 1H AZOCINO[4,5 B]INDOLE 5 CARBOXYLATE; ETHYL 3 ETHYL 6 BENZYL 2,3,6,7 TETRAHYDRO 1H AZOCINO[5,4 B]INDOLE 5 CARBOXYLATE; ETHYL 7 BENZYL 2 (2,2,2 TRIFLUOROACETYL) 4,7,8,9 TETRAHYDRO 1H PYRROLO[2,3 D]AZOCINE 5 CARBOXYLATE; OCTANOL; UNCLASSIFIED DRUG; WATER;

EID: 33748755627     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.06.055     Document Type: Article
Times cited : (34)

References (37)
  • 2
    • 0035238519 scopus 로고    scopus 로고
    • Alvarez, M.; Joule, A. Alkaloids; Chemistry and Biology; Academic Press: New York, 2001; Vol. 57, pp 235-272.
  • 30
    • 33748741752 scopus 로고    scopus 로고
    • note
    • In order to generate suitable docking poses of the ligand structures 11 and 15, with a good sampling of the conformational space, 500 runs of Monte Carlo search followed by conjugate gradient minimization were performed, resulting in 20 low-energy docking solutions. The lowest-energy docked structures (i.e., complexes within 1 kcal/mol range from the minimum-energy MCDOCK solution) were compared to the X-ray structure of galanthamine.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.