The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Complexes of HIV-1 Reverse Transcriptase with Inhibitors of the HEPT Series Reveal Conformational Changes Relevant to the Design of Potent Non-Nucleoside Inhibitors
Open accessAbstract
Crystal structures of HIV-1 reverse transcriptase (RT) complexed with a range of chemically diverse non-nucleoside inhibitors (NNIs) have shown a single pocket in which the inhibitors bind and details of the inhibitor-protein interactions. To delineate the structural requirements for an effective inhibitor, we have determined the structures of three closely related NNIs which vary widely in their potencies. Crystal structures of HIV-1 RT complexed with two very potent inhibitors, MKC-442 and TNK-651, at 2.55 angstroms resolution complement our previous analysis of the complex with the less effective inhibitor, HEPT. These structures reveal conformational changes which correlate with changes in potency. We suggest that a major determinant of increased potency in the analogues of HEPT is an improved interaction between residue Tyr181 in the protein and the 6-benzyl ring of the inhibitors which stabilizes the structure of the complex. This arises through a conformational switching of the protein structure triggered by the steric bulk of the 5-substituent of the inhibitor pyrimidine ring.
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Cites
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The Efficacy of Azidothymidine (AZT) in the Treatment of Patients with AIDS and AIDS-Related Complex
Fischl, M. A., Richman, D. D., Grieco, M. H., Gottlieb, M. S., Volberding, P. A., Laskin, O. L., Leedom, J. M., Groopman, J. E., Mildvan, D., Schooley, R. T., et al. (1987) · New England Journal of Medicine · doi:10.1056/nejm198707233170401 · Cited by 2,995
Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor
Kohlstaedt, L. A., Wang, J., Friedman, J. M., Rice, P. A., & Steitz, T. A. (1992) · Science · doi:10.1126/science.1377403 · Cited by 1,914
The Toxicity of Azidothymidine (AZT) in the Treatment of Patients with AIDS and AIDS-Related Complex
Richman, D. D., Fischl, M. A., Grieco, M. H., Gottlieb, M. S., Volberding, P. A., Laskin, O. L., Leedom, J. M., Groopman, J. E., Mildvan, D., Hirsch, M. S., et al. (1987) · New England Journal of Medicine · doi:10.1056/nejm198707233170402 · Cited by 1,199
Attenuation of Mengo virus through genetic engineering of the 5′ noncoding poly(C) tract
Duke, G. M., Osorio, J. E., & Palmenberg, A. C. (1990) · Nature · doi:10.1038/343474a0 · Cited by 163
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Implications of protein flexibility for drug discovery
Teague, S. J. (2003) · Nature Reviews Drug Discovery · doi:10.1038/nrd1129 · Cited by 755
Janssen, P. A. J., Lewi, P. J., Arnold, E., Daeyaert, F., de Jonge, M., Heeres, J., Koymans, L., Vinkers, M., Guillemont, J., Pasquier, E., et al. (2005) · Journal of Medicinal Chemistry · doi:10.1021/jm040840e · Cited by 347
Tirado-Rives, J., & Jorgensen, W. L. (2006) · Journal of Medicinal Chemistry · doi:10.1021/jm060763i · Cited by 270
HIV‐1 NNRTIs: structural diversity, pharmacophore similarity, and impliations for drug design
Zhan, P., Chen, X., Li, D., Fang, Z., De Clercq, E., & Liu, X. (2013) · Medicinal Research Reviews · doi:10.1002/med.20241 · Cited by 192
Wang, L., Sarafianos, S. G., & Wang, Z. (2020) · Accounts of Chemical Research · doi:10.1021/acs.accounts.9b00450 · Cited by 43
Metadata
- Authors
- Hopkins, A. L., Ren, J., Esnouf, R. M., Willcox, B. E., Jones, E. Y., Ross, C., Miyasaka, T., Walker, R. T., Tanaka, H., Stammers, D. K., & Stuart, D. I.
- Venue
- Journal of Medicinal Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 1996-01-01
- Volume
- 39
- Issue
- 8
- Pages
- 1589-1600
- ISSN
- 0022-2623 (ISSN-L)
- 1520-4804
- OpenAlex
- W2103766655
- Cited by
- 346
- References
- 5
- FWCI
- 16.57
- Type
- journal article
- Language
- en
- Open access
- green
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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