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Volumn 20, Issue 14, 2010, Pages 4182-4187

Interaction of aminoadamantane derivatives with the influenza A virus M2 channel-Docking using a pore blocking model

Author keywords

Amantadine; Aminoadamatanes; Binding constants; Docking calculations; Influenza A; M2TM blockers; Pore blocking model; Rimantadine; Trp fluorescence

Indexed keywords

ADAMANTANE DERIVATIVE; ALANINE; AMINO ACID; CARBONYL DERIVATIVE; HYDROGEN; HYDROXYL GROUP; LIGAND; M2 TRANSMEMBRANE PROTEIN; SERINE; UNCLASSIFIED DRUG; VALINE; VIRUS PROTEIN;

EID: 77954088453     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.05.049     Document Type: Article
Times cited : (13)

References (47)
  • 23
    • 0037526013 scopus 로고    scopus 로고
    • Antivirals Agents, RNA Viruses other than HIV
    • 5th ed, Wolff, M. E, Ed, John Wiley & Sons: New York
    • Laughlin, C. A.; Tseng, C. K. Antivirals Agents, RNA Viruses other than HIV. In Burger's Medicinal Chemistry, 5th ed., Wolff, M. E., Ed.; John Wiley & Sons: New York, 1997; Vol. 5, pp 571-595.
    • (1997) Burger's Medicinal Chemistry , vol.5 , pp. 571-595
    • Laughlin, C.A.1    Tseng, C.K.2
  • 24
    • 77954084983 scopus 로고    scopus 로고
    • For some representative publications see: Kolocouris, A. Ph.D Thesis, National Documentation Center, Vas. Constantinou 48, Athens, Greece, 1995.
    • For some representative publications see: Kolocouris, A. Ph.D Thesis, National Documentation Center, Vas. Constantinou 48, Athens, Greece, 1995.
  • 35
    • 38749106195 scopus 로고    scopus 로고
    • note
    • In the solution NMR structure of a M2 (18-60)-rimantadine complex the drug, in a 200-fold excess, is located on the C-terminus side at helical interfaces, Schnell, J. R.; Chou, J. J. Nature 2008, 451, 591. This structure seems to represent a non-specific drug binding site model according to the recent ssNMR data, see Ref. 6b.
  • 36
    • 77954088368 scopus 로고    scopus 로고
    • note
    • The synthesis of most of the ligands (compounds 6, 8, 9, 13-15, 18) has been published; experimental details for compounds 10-12, 16, 17 will be published in the future.
  • 44
    • 67349139888 scopus 로고    scopus 로고
    • In contrast recent modelling studies locate no hydrogen bonding for the complex:
    • In contrast recent modelling studies locate no hydrogen bonding for the complex:. Du Q.-S., Huang R.B., Wang C.-H., Li X.-M., and Chou K.-C. J. Theor. Biol. 259 (2009) 159
    • (2009) J. Theor. Biol. , vol.259 , pp. 159
    • Du, Q.-S.1    Huang, R.B.2    Wang, C.-H.3    Li, X.-M.4    Chou, K.-C.5
  • 47
    • 77954086488 scopus 로고    scopus 로고
    • note
    • The docking calculations performed on the wild type M2TM sequence of Udorn strain (SSDPLVVAASIIGILHLIL WILDRL) gave similar results; the extra methyl group in residue Ala34 of the mutant sequence (which used for the X-ray structure) seems to assist a little bit aminoadamantane drugs to adopt more stable poses with adamantane orienting towards the wider C-end and ammonium group pointing towards the N-end.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.