The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Systematic Investigation of Halogen Bonding in Protein–Ligand Interactions
Abstract
Halogen bonding triggers activity: Increasing binding affinity was observed for a series of covalent human Cathepsin L inhibitors by exchanging an aryl ring H atom with Cl, Br, and I, which undergo halogen bonding with the CO group of Gly61 in the S3 pocket of the enzyme. Fluorine, in contrast, strongly avoids halogen bonding (see scheme). The strong distance and angle dependence of halogen bonding was confirmed for biological systems.
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Cites
Yung-Chi, C., & Prusoff, W. H. (1973) · Biochemical Pharmacology · doi:10.1016/0006-2952(73)90196-2 · Cited by 12,922
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Computational tools to model halogen bonds in medicinal chemistry.
Ford, M. C., & Ho, P. S. (2016) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5b00997 · Cited by 143
Boudreau, P. D., Miller, B. W., McCall, L.-I., Almaliti, J., Reher, R., Hirata, K., Le, T., Siqueira-Neto, J. L., Hook, V., & Gerwick, W. H. (2019) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.9b00294 · Cited by 57
Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52
Gopalakrishnan, R., Kozany, C., Wang, Y., Schneider, S., Hoogeland, B., Bracher, A., & Hausch, F. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm201747c · Cited by 52
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.
Yang, Z., Liu, Y., Chen, Z., Xu, Z., Shi, J., Chen, K., & Zhu, W. (2015) · Journal of Molecular Modeling · doi:10.1007/s00894-015-2681-6 · Cited by 23
Metadata
- Authors
- Hardegger, L. A., Kuhn, B., Spinnler, B., Anselm, L., Ecabert, R., Stihle, M., Gsell, B., Thoma, R., Diez, J., Benz, J., Plancher, J., Hartmann, G., Banner, D. W., Haap, W., & Diederich, F.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2010-12-23
- Volume
- 50
- Issue
- 1
- Pages
- 314-318
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W2159356452
- Cited by
- 492
- References
- 1
- FWCI
- 21.86
- Type
- journal article
- Language
- en
- Open access
- closed
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- The paper
- Hardegger, L. A., Kuhn, B., Spinnler, B., Anselm, L., Ecabert, R., Stihle, M., Gsell, B., Thoma, R., Diez, J., Benz, J., Plancher, J., Hartmann, G., Banner, D. W., Haap, W., & Diederich, F. (2011). Systematic Investigation of Halogen Bonding in Protein–Ligand Interactions. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.201006781
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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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