Novel hemagglutinin inhibitors for H1N1 influenza virus screening from TCM database

References

• Sharadadevi , A. and Nagaraj , R. 2010 . A molecular dynamics study of human defensins HBD-1 and HNP-3 in water . J. Biomol. Struct. Dyn. , 27 : 541 – 550 .
   PubMed Web of Science ®Google Scholar
• Ramalho , T.C. , Caetano , M.S. , da Cunha , E.F.F. , Souza , T.C.S. and Rocha , M.V.J. 2009 . Construction and assessment of reaction models of class I EPSP synthase: Molecular docking and density functional theoretical calculations . J. Biomol. Struct. Dyn. , 27 : 195 – 207 .
   PubMed Web of Science ®Google Scholar
• Yoo , C.D. , Kim , S.C. and Lee , S.H. 2009 . Molecular dynamics simulation study of probe diffusion in liquid n-alkanes . Mol. Simul. , 35 : 241 – 247 .
   Web of Science ®Google Scholar
• Li , D.X. , Chen , G.L. , Liu , B.L. and Liu , Y.S. 2009 . Molecular simulation of -cyclodextrin inclusion complex with 2-phenylethyl alcohol . Mol. Simul. , 35 : 199 – 204 .
   Web of Science ®Google Scholar
• Luan , F. , Liu , H.T. , Gao , Y. and Zhang , X.Y. 2009 . QSPR model to predict the thermal stabilities of second-order nonlinear optical (NLO) chromophore molecules . Mol. Simul. , 35 : 248 – 257 .
   Web of Science ®Google Scholar
• Jing , J.H. , Liang , G.Z. , Mei , H. , Xiao , S.Y. , Xia , Z.N. and Li , Z.L. 2009 . Quantitative structure–mobility relationship studies of dipeptides in capillary zone electrophoresis using three-dimensional holographic vector of atomic interaction field . Mol. Simul. , 35 : 263 – 269 .
   Web of Science ®Google Scholar
• Cheng , P.K. , Leung , T.W. , Ho , E.C. , Leung , P.C. , Ng , A.Y. , Lai , M.Y. and Lim , W.W. 2009 . Oseltamivir- and amantadine-resistant influenza viruses A (H1N1) . Emerg. Infect. Dis. , 15 : 966 – 968 .
   PubMed Web of Science ®Google Scholar
• Guo , L. , Garten , R.J. , Foust , A.S. , Sessions , W.M. , Okomo-Adhiambo , M. , Gubareva , L.V. , Klimov , A.I and Xu , X. 2009 . Rapid identification of oseltamivir-resistant influenza A(H1N1) viruses with H274Y mutation by RT-PCR/restriction fragment length polymorphism assay . Antiviral Res. , 82 : 29 – 33 .
   Google Scholar
• Moscona , A. 2009 . Global transmission of oseltamivir-resistant influenza . New Engl. J. Med. , 360 : 953 – 956 .
   PubMed Web of Science ®Google Scholar
• De Clercq , E. 2006 . Antiviral agents active against influenza A viruses . Nat. Rev. Drug Discov. , 5 : 1015 – 1025 .
   PubMed Web of Science ®Google Scholar
• Kim , C.U. , Lew , W. , Williams , M.A. , Liu , H. , Zhang , L. , Swaminathan , S. , Bischofberger , N. , Chen , M.S. , Mendel , D.B. , Tai , C.Y. , Laver , W.G. and Stevens , R.C. 1997 . Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: Design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity . J. Am. Chem. Soc. , 119 : 681 – 690 .
   PubMed Web of Science ®Google Scholar
• von Itzstein , M. , Wu , W.Y. , Kok , G.B. , Pegg , M.S. , Dyason , J.C. , Jin , B. , Van Phan , T. , Smythe , M.L. , White , H.F. , Oliver , S.W. , Colman , P.M. , Varghese , J.N. , Ryan , D.M. , Woods , J.M. , Bethell , R.C. , Hotham , V.J. , Cameron , J.M. and Penn , C.R. 1993 . Rational design of potent sialidase-based inhibitors of influenza virus replication . Nature , 363 : 418 – 423 .
   PubMed Web of Science ®Google Scholar
• Oxford , J.S. 2000 . Influenza A pandemics of the 20th century with special reference to 1918: Virology, pathology and epidemiology . Rev. Med. Virol. , 10 : 119 – 133 .
   PubMed Web of Science ®Google Scholar
• Salomon , R. and Webster , R.G. 2009 . The influenza virus enigma . Cell , 136 : 402 – 410 .
   PubMed Web of Science ®Google Scholar
• McDonald , N.J. , Smith , C.B. and Cox , N.J. 2007 . Antigenic drift in the evolution of H1N1 influenza A viruses resulting from deletion of a single amino acid in the haemagglutinin gene . J. Gen. Virol. , 88 : 3209 – 3213 .
   Google Scholar
• Boni , M.F. 2008 . Vaccination and antigenic drift in influenza . Vaccine , 26 : C8 – C14 .
   PubMed Web of Science ®Google Scholar
• Hartshorn , K.L. , Liou , L.S. , White , M.R. , Kazhdan , M.M. , Tauber , J.L. and Tauber , A.I. 1995 . Neutrophil deactivation by influenza A virus. Role of hemagglutinin binding to specific sialic acid-bearing cellular proteins . J. Immunol. , 154 : 3952 – 3960 .
   PubMed Web of Science ®Google Scholar
• Nicholson , K.G. , Aoki , F.Y. , Osterhaus , A.D. , Trottier , S. , Carewicz , O. , Mercier , C.H. , Rode , A. , Kinnersley , N. and Ward , P. 2000 . Efficacy and safety of oseltamivir in treatment of acute influenza: A randomised controlled trial. Neuraminidase Inhibitor Flu Treatment Investigator Group . Lancet , 355 : 1845 – 1850 .
   PubMed Web of Science ®Google Scholar
• Chen , H. , Cheung , C.L. , Tai , H. , Zhao , P. , Chan , J.F. , Cheng , V.C. , Chan , K.H. and Yuen , K.Y. 2009 . Oseltamivir-resistant influenza A pandemic (H1N1) 2009 virus, Hong Kong, China . Emerg. Infect. Dis. , 15 : 1970 – 1972 .
   PubMed Web of Science ®Google Scholar
• Al-Mekhnaqi , A.M. , Mayeed , M.S. and Newaz , G.M. 2009 . Prediction of protein conformation in water and on surfaces by Monte Carlo simulations using united-atom method . Mol. Simul. , 35 : 292 – 300 .
   Web of Science ®Google Scholar
• Mihajlovic , M.L. and Mitrasinovic , P.M. 2009 . Applications of the ArgusLab4/AScore protocol in the structure-based binding affinity prediction of various inhibitors of group-1 and group-2 influenza virus neuraminidases (NAs) . Mol. Simul. , 35 : 311 – 324 .
   Web of Science ®Google Scholar
• Chen , C.Y. 2010 . Virtual screening and drug design for PDE-5 receptor from traditional Chinese medicine database . J. Biomol. Struct. Dyn. , 27 : 627 – 640 .
   PubMed Web of Science ®Google Scholar
• Chen , C.Y. , Chang , Y.H. , Bau , D.T. , Huang , H.J. , Tsai , F.J. , Tsai , C.H. and Chen , C.Y.C. 2009 . Ligand-based dual target drug design for H1N1: Swine flu – A preliminary first study . J. Biomol. Struct. Dyn. , 27 : 171 – 178 .
   PubMed Web of Science ®Google Scholar
• Huang , H.J. , Lee , K.J. , Yu , H.W. , Chen , C.Y. , Hsu , C.H. , Chen , H.Y. , Tsai , F.J. and Chen , C.Y.C. 2010 . Structure-based and ligand-based drug design for HER 2 receptor . J. Biomol. Struct. Dyn. , 28 : 23 – 37 .
   PubMed Web of Science ®Google Scholar
• Huang , H.J. , Lee , K.J. , Yu , H.W. , Chen , H.Y. , Tsai , F.J. and Chen , C.Y. 2010 . A novel strategy for designing the selective PPAR agonist by the ‘sum of activity’ model . J. Biomol. Struct. Dyn. , 28 : 187 – 200 .
   PubMed Web of Science ®Google Scholar
• Chen , C.Y.C. 2009 . Weighted equation and rules – a novel concept for evaluating protein–ligand interaction . J. Biomol. Struct. Dyn. , 27 : 271 – 282 .
   PubMed Web of Science ®Google Scholar
• Chen , C.Y.C. 2008 . Discovery of novel inhibitors for c-Met by virtual screening and pharmacophore analysis . J. Chin. Inst. Chem. Eng. , 39 : 617 – 624 .
   Google Scholar
• Chen , C.Y.C. 2008 . A novel perspective on designing the inhibitor of HER2 receptor . J. Chin. Inst. Chem. Eng. , 39 : 291 – 299 .
   Google Scholar
• Chen , C.Y.C. 2008 . Insights into the suanzaoren mechanism – From constructing the 3D structure of GABA-A receptor to its binding interaction analysis . J. Chin. Inst. Chem. Eng. , 39 : 663 – 671 .
   Google Scholar
• Chen , C.Y.C. 2009 . Chemoinformatics and pharmacoinformatics approach for exploring the GABA-A agonist from Chinese herb suanzaoren . J. Taiwan Inst. Chem. Eng. , 40 : 36 – 47 .
   Web of Science ®Google Scholar
• Chen , C.Y.C. 2009 . Pharmacoinformatics approach for mPGES-1 in anti-inflammation by 3D-QSAR pharmacophore mapping . J. Taiwan Inst. Chem. Eng. , 40 : 155 – 161 .
   Web of Science ®Google Scholar
• Chen , Y.C. 2007 . The molecular dynamic simulation of zolpidem interaction with gamma aminobutyric acid type A receptor . J. Chin. Chem. Soc. , 54 : 653 – 658 .
   Web of Science ®Google Scholar
• Chen , C.Y.C. 2009 . De novo design of novel selective COX-2 inhibitors: From virtual screening to pharmacophore analysis . J. Taiwan Inst. Chem. Eng. , 40 : 55 – 69 .
   Web of Science ®Google Scholar
• Chen , C.Y.C. , Chen , G.W. and Chen , W.Y.C. 2008 . Molecular simulation of HER2/neu degradation by inhibiting HSP90 . J. Chin. Chem. Soc. , 55 : 297 – 302 .
   Web of Science ®Google Scholar
• Chen , C.Y.C. 2008 . Inhibiting the vascular smooth muscle cells proliferation by EPC and DPPC liposomes encapsulated magnolol . J. Chin. Inst. Chem. Eng. , 39 : 407 – 411 .
   Google Scholar
• Chen , C.Y. , Chang , Y.H. , Bau , D.T. , Huang , H.J. , Tsai , F.J. , Tsai , C.H. and Chen , C.Y.C. 2009 . Discovery of potent inhibitors for phosphodiesterase 5 by virtual screening and pharmacophore analysis . Acta Pharmacol. Sin. , 30 : 1186 – 1194 .
   PubMed Web of Science ®Google Scholar
• Chen , C.Y.C. 2009 . Weighted equation and rules – A novel concept for evaluating protein–ligand interaction . J. Biomol. Struct. Dyn. , 27 : 271 – 282 .
   PubMed Web of Science ®Google Scholar
• Chen , C.Y.C. 2009 . Computational screening and design of traditional Chinese medicine (TCM) to block phosphodiesterase-5 . J. Mol. Graphics Model. , 28 : 261 – 269 .
   PubMed Web of Science ®Google Scholar
• Tang , Y.J. , Yang , J.S. , Lin , C.F. , Shyu , W.C. , Tsuzuki , M. , Lu , C.C. , Chen , Y.F. and Lai , K.C. 2009 . Houttuynia cordata Thunb extract induces apoptosis through mitochondrial-dependent pathway in HT-29 human colon adenocarcinoma cells . Oncol. Rep. , 22 : 1051 – 1056 .
   PubMed Web of Science ®Google Scholar
• Su , C.R. , Chen , Y.F. , Liou , M.J. , Tsai , H.Y. , Chang , W.S. and Wu , T.S. 2008 . Anti-inflammatory activities of furanoditerpenoids and other constituents from Fibraurea tinctoria . Biorg. Med. Chem. , 16 : 9603 – 9609 .
   PubMed Web of Science ®Google Scholar
• Hsieh , Y.H. , Chu , F.H. , Wang , Y.S. , Chien , S.C. , Chang , S.T. , Shaw , J.F. , Chen , C.Y. , Hsiao , W.W. , Kuo , Y.H. and Wang , S.Y. 2010 . Antrocamphin A, an anti-inflammatory principal from the fruiting body of Taiwanofungus camphoratus, and its mechanisms . J. Agric. Food Chem. , 58 : 3153 – 3158 .
   PubMed Web of Science ®Google Scholar
• Stevens , J. , Corper , A.L. , Basler , C.F. , Taubenberger , JK , Palese , P. and Wilson , I.A. 2004 . Structure of the uncleaved human H1 hemagglutinin from the extinct 1918 influenza virus . Science , 303 : 1866 – 1870 .
   PubMed Web of Science ®Google Scholar
• Lipinski , C.A. , Lombardo , F. , Dominy , B.W. and Feeney , P.J. 2001 . Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings . Adv. Drug Del. Rev. , 46 : 3 – 26 .
   PubMed Web of Science ®Google Scholar