Identification of novel compounds against an R294K substitution of influenza A (H7N9) virus using ensemble based drug virtual screening

International Journal of Medical Sciences

Volumn 12, Issue 2, 2015, Pages 163-176

  Tran, Nhut ^a,b   Van, Thanh ^a,b   Nguyen, Hieu ^a   Le, Ly ^a,b  

^a INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

^b INTERNATIONAL UNIVERSITY   (Viet Nam)

Author keywords

Binding free energy; Influenza virus; Molecular dynamic simulation; Neuraminidase; Virtual screening

Indexed keywords

ANTIVIRUS AGENT; LANINAMIVIR; OSELTAMIVIR; PERAMIVIR; SIALIC ACID; SIALIDASE; UNCLASSIFIED DRUG; ZANAMIVIR; [9 HYDROXY 10 [3 (TRIFLUOROMRTHYL)CYCLOHEXY] 4.8 DIAZATRICYCLO [6.4.0.02,6]DODEC 4 YL](PERHYDRO 1H INDEN 5 YL)FORMALDEHYDE; VIRUS PROTEIN;

ANHUI VIRUS; ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; CHINA; CHINESE MEDICINE; CONFORMATION; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG SCREENING; DRUG STABILITY; DRUG STRUCTURE; ENERGY; HYDROGEN BOND; HYDROPHOBICITY; INFLUENZA VIRUS A H7N9; LIGAND BINDING; MOLECULAR BIOLOGY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR WEIGHT; NONHUMAN; POISSON BOLTZMANN SURFACE AREA; PROTEIN TARGETING; SHANGHAI VIRUS; SIMULATION; TRADITIONAL MEDICINE; VIRUS STRAIN; CHEMISTRY; DRUG EFFECTS; ENZYMOLOGY; GENETICS; HUMAN; INFLUENZA; INFLUENZA A VIRUS (H7N9); PROCEDURES;

ANTIVIRAL AGENTS; DRUG EVALUATION, PRECLINICAL; HUMANS; INFLUENZA A VIRUS, H7N9 SUBTYPE; INFLUENZA, HUMAN; MOLECULAR DYNAMICS SIMULATION; NEURAMINIDASE; VIRAL PROTEINS;

EID: 84961288430     PISSN: 14491907     EISSN: None     Source Type: Journal    
DOI: 10.7150/ijms.10826     Document Type: Article

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