The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Structure-based inhibitor design by using protein models for the development of antiparasitic agents.
Open accessAbstract
The lack of an experimentally determined structure of a target protein frequently limits the application of structure-based drug design methods. In an effort to overcome this limitation, we have investigated the use of computer model-built structures for the identification of previously unknown inhibitors of enzymes from two major protease families, serine and cysteine proteases. We have successfully used our model-built structures to identify computationally and to confirm experimentally the activity of nonpeptidic inhibitors directed against important enzymes in the schistosome [2-(4-methoxybenzoyl)-1-naphthoic acid, Ki = 3 microM] and malaria (oxalic bis[(2-hydroxy-1-naphthylmethylene)hydrazide], IC50 = 6 microM) parasite life cycles.
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Cites
The relation between the divergence of sequence and structure in proteins.
Chothia, C., & Lesk, A. M. (1986) · The EMBO Journal · doi:10.1002/j.1460-2075.1986.tb04288.x · Cited by 2,458
A malarial cysteine proteinase is necessary for hemoglobin degradation by Plasmodium falciparum
Rosenthal, P. J., McKerrow, J. H., Aikawa, M., Nagasawa, H., & Leech, J. H. (1988) · Journal of Clinical Investigation · doi:10.1172/jci113766 · Cited by 331
Self-citation
Cited by
Comparative Protein Structure Modeling of Genes and Genomes
Martí-Renom, M. A., Stuart, A. C., Fiser, A., Sánchez, R., Melo, F., & Šali, A. (2000) · Annual Review of Biophysics and Biomolecular Structure · doi:10.1146/annurev.biophys.29.1.291 · Cited by 3,169
Modeling of loops in protein structures
Fiser, A., Do, R. K. G., & Šali, A. (2000) · Protein Science · doi:10.1110/ps.9.9.1753 · Cited by 2,116
Software for molecular docking: a review
Pagadala, N. S., Syed, K., & Tuszynski, J. (2017) · Biophysical Reviews · doi:10.1007/s12551-016-0247-1 · Cited by 1,522
Bissantz, C., Folkers, G., & Rognan, D. (2000) · Journal of Medicinal Chemistry · doi:10.1021/jm001044l · Cited by 740
Comparative protein structure modeling using MODELLER
Webb, B., & Sali, A. (2016) · Current Protocols in Protein Science · doi:10.1002/cpps.20 · Cited by 730
“…al., 2006; Sellers et al., 2008), molecular dynamics simulations (Bruccoleri and Karplus, 1990; van Vlijmen and Karplus, 1997), genetic algorithms (Ring et al., 1993), Monte Carlo and simulated annealing (Higo et al., 1992; Collura et al., 1993; Abagyan and Totrov, 1994), multiple copy…”
Background
Metadata
- Authors
- Ring, C. S., Sun, E., McKerrow, J. H., Lee, G. K., Rosenthal, P. J., Kuntz, I. D., & Cohen, F. E.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 1993-04-15
- Volume
- 90
- Issue
- 8
- Pages
- 3583-3587
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W1993418211
- Cited by
- 267
- References
- 2
- FWCI
- 27.10
- Type
- journal article
- Language
- en
- Open access
- green
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- Ring, C. S., Sun, E., McKerrow, J. H., Lee, G. K., Rosenthal, P. J., Kuntz, I. D., & Cohen, F. E. (1993). Structure-based inhibitor design by using protein models for the development of antiparasitic agents. Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.90.8.3583
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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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