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Volumn 5, Issue 2, 1997, Pages 323-334

New aromatic inhibitors of EPSP synthase incorporating hydroxymalonates as novel 3-phosphate replacements

Author keywords

[No Author keywords available]

Indexed keywords

3 PHOSPHOSHIKIMATE 1 CARBOXYVINYLTRANSFERASE; ENZYME INHIBITOR; SHIKIMIC ACID DERIVATIVE; SYNTHETASE;

EID: 0031081517     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(96)00239-8     Document Type: Article
Times cited : (11)

References (44)
  • 27
    • 0000460468 scopus 로고
    • Olson, E. C.; Christofferson, R. E.; Eds.; ACS Symposium Series 112; American Chemical Society: Washington, D.C.
    • 16. (a) Marshall, G. R.; Barry, C. D.; Bosshard, H. E.; Dammkoehler, R. A.; Dunn, D. A. In Computer-Assisted Drug Design; Olson, E. C.; Christofferson, R. E.; Eds.; ACS Symposium Series 112; American Chemical Society: Washington, D.C., 1979; p 205;
    • (1979) Computer-Assisted Drug Design , pp. 205
    • Marshall, G.R.1    Barry, C.D.2    Bosshard, H.E.3    Dammkoehler, R.A.4    Dunn, D.A.5
  • 29
    • 0011443016 scopus 로고    scopus 로고
    • Molecular modeling studies were performed using Sybyl® (Tripos Software, St Louis, MO, Version 4.5). The geometry for 1 was optimized using the semiempirical molecular orbital program MOPAC and the AM1 Hamiltonian. Conformational analyses were performed using the Search option in Sybyl. A five-dimensional distance map (OMAP) was generated for compound 2, which was used as a constraint for compound 4, and the resulting OMAP was used to constrain compound 1. The final OMAP contained one pharmacophoric point
    • 17. Molecular modeling studies were performed using Sybyl® (Tripos Software, St Louis, MO, Version 4.5). The geometry for 1 was optimized using the semiempirical molecular orbital program MOPAC and the AM1 Hamiltonian. Conformational analyses were performed using the Search option in Sybyl. A five-dimensional distance map (OMAP) was generated for compound 2, which was used as a constraint for compound 4, and the resulting OMAP was used to constrain compound 1. The final OMAP contained one pharmacophoric point.
  • 33
    • 0029930442 scopus 로고    scopus 로고
    • A molecular modeling comparison of their respective solvent accessible surfaces indicates that a 3-malonate ether in 5 occupies about 20% more volume than the 3-phosphate group in S3P. However, a slightly smaller difference (12%) has recently been reported for another system
    • 19. A molecular modeling comparison of their respective solvent accessible surfaces indicates that a 3-malonate ether in 5 occupies about 20% more volume than the 3-phosphate group in S3P. However, a slightly smaller difference (12%) has recently been reported for another system: Burke, Jr T. R.; Ye, B.; Akamatsu, M.; Ford, Jr H.; Yan, X.; Kole, H. K.; Wolf, G.; Shoelson, S. E.; Roller, P. P. J. Med. Chem. 1996, 39, 1021.
    • (1996) J. Med. Chem. , vol.39 , pp. 1021
    • Burke T.R., Jr.1    Ye, B.2    Akamatsu, M.3    Ford H., Jr.4    Yan, X.5    Kole, H.K.6    Wolf, G.7    Shoelson, S.E.8    Roller, P.P.9
  • 44
    • 0003391722 scopus 로고
    • Data were analyzed using the GraFit software, Erithacus Software Ltd., Staines, U. K.
    • 28. Data were analyzed using the GraFit software: Leather-barrow, R. J. GraFit, Version 2.0, Erithacus Software Ltd., Staines, U. K., 1990.
    • (1990) GraFit, Version 2.0
    • Leather-Barrow, R.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.