메뉴 건너뛰기




Volumn 118, Issue 16, 1996, Pages 3946-3950

An ab initio quantum mechanical model for the catalytic mechanism of HIV-1 protease

Author keywords

[No Author keywords available]

Indexed keywords

PROTEINASE;

EID: 0029885915     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9513188     Document Type: Article
Times cited : (42)

References (33)
  • 2
    • 0023477907 scopus 로고
    • Henderson, L. E. et al. in Human Retroviruses, Cancer and AIDS: Approach to Prevention and Therapy, Alan R Liss, Inc.: New York, 1988; pp 135-147. Debouck, C. et al. Proc. Natl. Acad. Sci. U.S.A. 1987, 84, 8903-8906.
    • (1987) Proc. Natl. Acad. Sci. U.S.A. , vol.84 , pp. 8903-8906
    • Debouck, C.1
  • 4
    • 0024412506 scopus 로고
    • Wlodawer, A. et al. Science 1991, 245, 616-621.
    • (1991) Science , vol.245 , pp. 616-621
    • Wlodawer, A.1
  • 8
    • 0000203221 scopus 로고
    • Shaik, S. S.; Schlegel, H. B.; Wolfe, S. Theoretical Aspects of Physical Organic Chemistry; Wiley: New York, 1992. Eksterowicz, E. J.; Houk, K. N. Chem. Rev. 1993, 93, 2439-2461.
    • (1993) Chem. Rev. , vol.93 , pp. 2439-2461
  • 11
    • 0002663359 scopus 로고
    • Kostka, V., Ed.; de Gruyter: Berlin
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1985) Aspartic Proteinases and Their Inhibitors , pp. 1-17
    • Kay, J.1
  • 12
    • 0021855138 scopus 로고
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1985) Biochemistry , vol.24 , pp. 3701-3713
    • James, M.N.G.1    Sielecki, A.R.2
  • 13
    • 0023652655 scopus 로고
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1983) FEBS Lett. , vol.219 , pp. 1-4
    • Polgár, L.1
  • 14
    • 0023646303 scopus 로고
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1987) FEBS Lett. , vol.214 , pp. 8-12
    • Pearl, L.H.1
  • 15
    • 0004081264 scopus 로고
    • Jones and Bartlett Publishers: Boston
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1992) Biochemistry , pp. 161
    • Abeles, R.H.1    Frey, P.A.2    Jencks, W.P.3
  • 16
    • 0023434194 scopus 로고
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1987) Proc. Natl. Acad. Sci. U S A. , vol.87 , pp. 7009-7013
    • Suguna, K.1    Padlan, E.A.2    Smith, C.W.3    Carlson, W.D.4    Davies, D.R.5
  • 17
    • 0026720426 scopus 로고
    • Kay, J. In Aspartic Proteinases and Their Inhibitors; Kostka, V., Ed.; de Gruyter: Berlin, 1985; pp 1-17. James, M. N. G.; Sielecki, A. R. Biochemistry 1985, 24, 3701-3713. Polgár, L. FEBS Lett. 1983, 219, 1-4. Pearl, L. H. FEBS Lett. 1987, 214, 8-12. Abeles, R. H.; Frey, P. A.; Jencks, W. P. Biochemistry: Jones and Bartlett Publishers: Boston, 1992; p 161. Suguna, K.; Padlan, E. A.; Smith, C. W.; Carlson, W. D.; Davies, D. R. Proc. Natl. Acad. Sci. U S A. 1987, 87, 7009-7013. James, M. N. et al. Biochemistry 1987, 31, 3872-3886.
    • (1987) Biochemistry , vol.31 , pp. 3872-3886
    • James, M.N.1
  • 19
    • 84988119900 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1987) J. Comput. Chem. , vol.8 , pp. 835
    • Goldblum, A.1
  • 20
    • 0024281298 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1988) Biochemistry , vol.27 , pp. 1653
    • Goldblum, A.1
  • 21
    • 25044448203 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1987) J. Mol. Struct , vol.150 , pp. 241-250
    • Hadzi, D.1
  • 22
    • 15844385092 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1988) , vol.181 , pp. 71-80
  • 23
    • 0011879873 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1993) Theor Chim. Acta , vol.85 , pp. 231-247
    • Goldblum, A.1
  • 24
    • 21344497619 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1994) Polish J. Chem. , vol.68 , pp. 939-947
    • Ciarkowski, J.1    Oldziej, S.2    Liwo, A.3
  • 25
    • 15844401051 scopus 로고
    • Goldblum, A. J. Comput. Chem. 1987, 8, 835. Goldblum, A. Biochemistry 1988, 27, 1653. Hadzi, D. J. Mol. Struct. 1987, 150, 241-250; 1988, 181, 71-80. Goldblum, A. et al. Theor Chim. Acta 1993, 85, 231-247. Ciarkowski, J.; Oldziej, S.; Liwo, A. Polish J. Chem. 1994, 68, 939-947, 949-956. Aleksandrov, S. L.; Antonov, K. Soviet J. Bioinorg. Chem. 1990, 16, 245-254
    • (1990) Soviet J. Bioinorg. Chem. , vol.16 , pp. 245-254
    • Aleksandrov, S.L.1    Antonov, K.2
  • 31
    • 15844391808 scopus 로고    scopus 로고
    • note
    • c were optimized jointly as shown.
  • 32
    • 15844398119 scopus 로고    scopus 로고
    • note
    • 2 barrier of 9.5 kcal/mol (HF/6-31G*, relative to INT) to 6 8 kcal/mol.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.