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Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2
Open accessAbstract
A lead compound obtained from a high volume human non-pancreatic secretory phospholipase A2 (hnps-PLA2) screen has been developed into a potent inhibitor using detailed structural knowledge of inhibitor binding to the enzyme active site. Four crystal structures of hnps-PLA2 complexed with a series of increasingly potent indole inhibitors were determined and used as the structural basis for both understanding this binding and providing valuable insights for further development. The application of structure-based drug design has made possible improvements in the binding of this screening lead to the enzyme by nearly three orders of magnitude. Furthermore, the optimized structure (LY311727) displayed 1,500-fold selectivity when assayed against porcine pancreatic s-PLA2.
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Rational design of potent sialidase-based inhibitors of influenza virus replication
von Itzstein, M., Wu, W.-Y., Kok, G. B., Pegg, M. S., Dyason, J. C., Jin, B., Van Phan, T., Smythe, M. L., White, H. F., Oliver, S. W., et al. (1993) · Nature · doi:10.1038/363418a0 · Cited by 1,862
Cited by
Dennis, E. A., Cao, J., Hsu, Y.-H., Magrioti, V., & Kokotos, G. (2011) · Chemical Reviews · doi:10.1021/cr200085w · Cited by 1,203
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
McGovern, S. L., Caselli, E., Grigorieff, N., & Shoichet, B. K. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm010533y · Cited by 1,042
The phospholipase A2 superfamily and its group numbering system
Schaloske, R. H., & Dennis, E. A. (2006) · Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids · doi:10.1016/j.bbalip.2006.07.011 · Cited by 936
Phospholipase A2 structure/function, mechanism, and signaling
Burke, J. E., & Dennis, E. A. (2009) · Journal of Lipid Research · doi:10.1194/jlr.r800033-jlr200 · Cited by 933
Implications of protein flexibility for drug discovery
Teague, S. J. (2003) · Nature Reviews Drug Discovery · doi:10.1038/nrd1129 · Cited by 755
Metadata
- Authors
- Schevitz, R. W., Bach, N. J., Carlson, D. G., Chirgadze, N. Y., Clawson, D. K., Dillard, R. D., Draheim, S. E., Hartley, L. W., Jones, N. D., Mihelich, E. D., Olkowski, J. L., Snyder, D. W., Sommers, C., & Wery, J.-P.
- Venue
- Nature Structural & Molecular Biology
- Published
- 1995-06
- Volume
- 2
- Issue
- 6
- Pages
- 458-465
- ISSN
- 1545-9985 (ISSN-L)
- 1545-9993
- OpenAlex
- W2064644631
- Cited by
- 216
- References
- 1
- FWCI
- 11.25
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Schevitz, R. W., Bach, N. J., Carlson, D. G., Chirgadze, N. Y., Clawson, D. K., Dillard, R. D., Draheim, S. E., Hartley, L. W., Jones, N. D., Mihelich, E. D., Olkowski, J. L., Snyder, D. W., Sommers, C., & Wery, J.-P. (1995). Structure-based design of the first potent and selective inhibitor of human non-pancreatic secretory phospholipase A2. Nature Structural & Molecular Biology. https://doi.org/10.1038/nsb0695-458
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