Design of the influenza virus inhibitors targeting the PA endonuclease using 3D-QSAR modeling, side-chain hopping, and docking

Bioorganic and Medicinal Chemistry Letters

Volumn 24, Issue 2, 2014, Pages 539-547

  Yan, Zhihui ^a,c   Zhang, Lijie ^a,c   Fu, Haiyang ^a,c   Wang, Zhonghua ^b   Lin, Jianping ^b,c  

^a TIANJIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b NANKAI UNIVERSITY   (China)

^c Tianjin Joint Academy of Biomedicine and Technology   (China)

Author keywords

3D QSAR; Docking; Influenza virus endonuclease; Side chain hopping; Virtual screening

Indexed keywords

ANTIVIRUS AGENT; BINDING PROTEIN; ENDONUCLEASE; ENZYME INHIBITOR; HYDROGEN;

ARTICLE; BIOLOGICAL ACTIVITY; CRYSTAL STRUCTURE; DRUG STRUCTURE; GLYCYRRHIZA; IC 50; MODEL; MOLECULAR DOCKING; MOLECULAR LIBRARY; PHARMACOPHORE; SCREENING; STRUCTURE ACTIVITY RELATION; SURVIVAL; VIRUS INHIBITION;

ORTHOMYXOVIRIDAE;

3D-QSAR; DOCKING; INFLUENZA VIRUS ENDONUCLEASE; SIDE-CHAIN HOPPING; VIRTUAL SCREENING;

ANTIVIRAL AGENTS; BINDING SITES; CRYSTALLOGRAPHY; DRUG DESIGN; ENDONUCLEASES; ENZYME INHIBITORS; HUMANS; HYDROXYBUTYRATES; ORTHOMYXOVIRIDAE; PIPERIDINES; PROTEIN STRUCTURE, SECONDARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84891872676     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2013.12.026     Document Type: Article

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