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Volumn 21, Issue 15, 2011, Pages 4642-4647

Phenylpropenamide derivatives: Anti-hepatitis B virus activity of the Z isomer, SAR and the search for novel analogs

Author keywords

Antivirals; HBV inhibitors; Hepatitis B virus; Phenylpropenamides; Pregenomic RNA packaging

Indexed keywords

NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; PHENYLPROPANOLAMINE;

EID: 79960369208     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.05.077     Document Type: Article
Times cited : (48)

References (19)
  • 11
    • 84856307456 scopus 로고    scopus 로고
    • Structure of compound 10E in Figure 2 is reported as compound 6 in Ref. 9 and as AT-61 in Ref. 10. CCDC 826064 & 826065 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via
    • Structure of compound 10E in Figure 2 is reported as compound 6 in Ref. 9 and as AT-61 in Ref. 10. CCDC 826064 & 826065 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif.
  • 14
    • 0043162336 scopus 로고
    • Conformers were generated for every compound modeled using torsional sampling (MCMM) (a) followed by energy minimization to a convergence gradient of 0.005 using MMFFs with a distance dependent dielectric model of 2r. (b) An RMSD of 0.25 and a 15 kcal/mol energy window were used as criterion to limit the number of conformers output with an upper limit of 1000 being possible. None of the compounds resulted in more than 100 conformers given these limits. (MacroModel, version 9.8, Schrödinger, LLC, New York, NY, 2010.) (a) MCMM-Monte Carlo Multiple Minimum
    • Conformers were generated for every compound modeled using torsional sampling (MCMM) (a) followed by energy minimization to a convergence gradient of 0.005 using MMFFs with a distance dependent dielectric model of 2r. (b) An RMSD of 0.25 and a 15 kcal/mol energy window were used as criterion to limit the number of conformers output with an upper limit of 1000 being possible. None of the compounds resulted in more than 100 conformers given these limits. (MacroModel, version 9.8, Schrödinger, LLC, New York, NY, 2010.) (a) MCMM-Monte Carlo Multiple Minimum: Chang, G.; Guida, W. C.; Still, W. C. J. Am. Chem. Soc. 1989, 111, 4379
    • (1989) J. Am. Chem. Soc , vol.111 , pp. 4379
    • Chang, G.1    Guida, W.C.2    Still, W.C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.