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Volumn 118, Issue 46, 1996, Pages 11357-11362

Identification of a more potent analogue of the naturally occurring alkaloid huperzine A. Predictive molecular modeling of its interaction with AChE

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLCHOLINESTERASE; HUPERZINE A; HUPERZINE A DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0029909228     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9622822     Document Type: Article
Times cited : (112)

References (27)
  • 1
    • 84922342912 scopus 로고
    • Liu, J.-S.; Zhu, Y.-L.; Yu, C.-M.; Zhou, Y.-Z.; Han, Y.-Y.; Wu, F.-W.; Qi, B.-F. Can. J. Chem. 1986, 64, 837. Xia, Y.; Kozikowski, A. P. J. Am. Chem. Soc. 1989, 111, 4116 and references cited therein; Xu, S.-S.; Gao, Z.-X., Weng, Z.; Du, Z.-M.; Xu, W.-A.; Yang, J.-S.; Zhang, M.-L.; Tong, Z.-H.; Fang, Y.-S.; Chai, X.-S.; Li, S.-L. Acta Pharmacologica Sinica 1995, 16, 391.
    • (1986) Can. J. Chem. , vol.64 , pp. 837
    • Liu, J.-S.1    Zhu, Y.-L.2    Yu, C.-M.3    Zhou, Y.-Z.4    Han, Y.-Y.5    Wu, F.-W.6    Qi, B.-F.7
  • 2
    • 0024338668 scopus 로고
    • and references cited therein
    • Liu, J.-S.; Zhu, Y.-L.; Yu, C.-M.; Zhou, Y.-Z.; Han, Y.-Y.; Wu, F.-W.; Qi, B.-F. Can. J. Chem. 1986, 64, 837. Xia, Y.; Kozikowski, A. P. J. Am. Chem. Soc. 1989, 111, 4116 and references cited therein; Xu, S.-S.; Gao, Z.-X., Weng, Z.; Du, Z.-M.; Xu, W.-A.; Yang, J.-S.; Zhang, M.-L.; Tong, Z.-H.; Fang, Y.-S.; Chai, X.-S.; Li, S.-L. Acta Pharmacologica Sinica 1995, 16, 391.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 4116
    • Xia, Y.1    Kozikowski, A.P.2
  • 9
    • 0028693767 scopus 로고
    • Kozikowski, A. P.; Pang, Y. P. In Trends in QSAR and Molecular Modeling '92. Proceedings of the 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Wermuth, C. G., Ed.; ESCOM Science Publishers: Leiden, The Netherlands, 1993. Pang, Y.-P.; Kozikowski, A. P. J. Comp. Aided-Mol. Design 1994, 8, 669.
    • (1994) J. Comp. Aided-Mol. Design , vol.8 , pp. 669
    • Pang, Y.-P.1    Kozikowski, A.P.2
  • 14
  • 17
    • 15844422678 scopus 로고    scopus 로고
    • unpublished results
    • The molecular modeling studies appear consistent with our preliminary X-ray findings: Raves, M; Harel, H.; Pang, Y.-P.; Silman, I.; Kozikowski, A. P.; Sussman, J., unpublished results. For a recent paper on the X-ray structure of AChE in complex with a transition state analogue inhibitor, see: Harel, M.; Quinn, D. M.; Nair, H. K.; Silman, I.; Sussman, J. L. J. Am. Chem. Soc. 1996, 118, 2340.
    • Raves, M.1    Harel, H.2    Pang, Y.-P.3    Silman, I.4    Kozikowski, A.P.5    Sussman, J.6
  • 18
    • 15844422678 scopus 로고    scopus 로고
    • The molecular modeling studies appear consistent with our preliminary X-ray findings: Raves, M; Harel, H.; Pang, Y.-P.; Silman, I.; Kozikowski, A. P.; Sussman, J., unpublished results. For a recent paper on the X-ray structure of AChE in complex with a transition state analogue inhibitor, see: Harel, M.; Quinn, D. M.; Nair, H. K.; Silman, I.; Sussman, J. L. J. Am. Chem. Soc. 1996, 118, 2340.
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 2340
    • Harel, M.1    Quinn, D.M.2    Nair, H.K.3    Silman, I.4    Sussman, J.L.5
  • 19
    • 10544228454 scopus 로고    scopus 로고
    • note
    • The log P values were calculated using the PALLAS FRAME MODULE, a prediction tool of physicochemical parameters supplied by CompuDrug Chemistry, Ltd., P.O. Box 23196, Rochester, NY 14692.
  • 21
    • 10544221149 scopus 로고    scopus 로고
    • note
    • QUANTA, a molecular modeling system, is supplied by Molecular Simulations Inc., 200 Fifth Avenue, Waltham, MA 01803-5279.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.