Exploiting protein fluctuations at the active-site Gorge of human cholinesterases: Further optimization of the design strategy to develop extremely potent inhibitors

Journal of Medicinal Chemistry

Volumn 51, Issue 11, 2008, Pages 3154-3170

  Butini, Stefania ^a   Campiani, Giuseppe ^a   Borriello, Marianna ^a,b   Gemma, Sandra ^a   Panico, Alessandro ^a   Persico, Marco ^a,b   Catalanotti, Bruno ^a,b   Ros, Sindu ^a   Brindisi, Margherita ^a   Agnusdei, Marianna ^a   Fiorini, Isabella ^a   Nacci, Vito ^a   Novellino, Ettore ^a,b   Belinskaya, Tatyana ^c   Saxena, Ashima ^c   Fattorusso, Caterina ^a,b  

^a UNIVERSITY OF SIENA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c WALTER REED ARMY INSTITUTE OF RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHOLINESTERASE; CHOLINESTERASE INHIBITOR; N [4 [(1,2,3,4 TETRAHYDROACRIDIN 9 YL)AMINO]BUTYL] N [3 [(1,2,3,4 TETRAHYDROACRIDIN 9 YL)SULFANYL]PROPYL]ACETAMIDE;

ARTICLE; BIOINFORMATICS; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG POTENCY; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR MODEL; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ACETYLCHOLINESTERASE; BINDING SITES; BUTYRYLCHOLINESTERASE; CHOLINESTERASE INHIBITORS; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; MODELS, MOLECULAR; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TACRINE;

EID: 44949229187     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm701253t     Document Type: Article

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