Virtual screening and structure-based discovery of indole acylguanidines as potent β-secretase (BACE1) inhibitors

Molecules

Volumn 18, Issue 5, 2013, Pages 5706-5722

  Zou, Yiquan ^a   Li, Li ^a   Chen, Wuyan ^a   Chen, Tiantian ^a   Ma, Lanping ^a   Wang, Xin ^a   Xiong, Bing ^a   Xu, Yechun ^a   Shen, Jingkang ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

Crystal structure; Docking; Indole acylguanidine; Structure based lead design; Virtual screening

Indexed keywords

ASPARTIC PROTEINASE; BACE1 PROTEIN, HUMAN; GUANIDINE DERIVATIVE; INDOLE DERIVATIVE; PROTEINASE INHIBITOR; SECRETASE;

ARTICLE; BINDING SITE; CHEMISTRY; DRUG ANTAGONISM; DRUG DEVELOPMENT; HUMAN; METABOLISM; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION; SYNTHESIS;

AMYLOID PRECURSOR PROTEIN SECRETASES; ASPARTIC ACID ENDOPEPTIDASES; BINDING SITES; DRUG DISCOVERY; GUANIDINES; HUMANS; INDOLES; MOLECULAR DOCKING SIMULATION; PROTEASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84878321713     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules18055706     Document Type: Article

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