The DOI matches its Crossref record; 37 of the 37 references it cites were found in a registry or an index.
Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors
Abstract
The influence of physicochemical properties, including lipophilicity, H-bonding capacity and molecular size and shape descriptors on brain uptake has been investigated using a selection of marketed CNS and CNS-inactive drugs. It is demonstrated that the polar surface area of a drug can be used as a suitable descriptor for the drugs' H-bonding potential. A combination of a H-bonding and a molecular size descriptor, i.e., the major components of lipophilicity and permeability, avoiding knowledge of distribution coefficients, is proposed to estimate brain penetration potential of new drug candidates. Previously reported experimental surface activity data appear to be strongly correlated to molecular size of the drug compounds. Present analysis offers a modern basis for property-based design and targeting of CNS drugs.
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Cites
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (2001) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(00)00129-0 · Cited by 18,139
Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (1997) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(96)00423-1 · Cited by 11,385
Partition coefficients and their uses
Leo, A., Hansch, C., & Elkins, D. (1971) · Chemical Reviews · doi:10.1021/cr60274a001 · Cited by 4,540
Abraham, M. H. (1993) · Chemical Society Reviews · doi:10.1039/cs9932200073 · Cited by 1,968
Schinkel, A. H., Wagenaar, E., van Deemter, L., Mol, C. A., & Borst, P. (1995) · Journal of Clinical Investigation · doi:10.1172/jci118214 · Cited by 1,107
Levin, V. A. (1980) · Journal of Medicinal Chemistry · doi:10.1021/jm00180a022 · Cited by 813
Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
Palm, K., Stenberg, P., Luthman, K., & Artursson1, P. (1997) · Pharmaceutical Research · doi:10.1023/a:1012188625088 · Cited by 756
Young, R. C., Mitchell, R. C., Brown, T. H., Ganellin, C. R., Griffiths, R., Jones, M., Rana, K. K., Saunders, D., & Smith, I. R. (1988) · Journal of Medicinal Chemistry · doi:10.1021/jm00398a028 · Cited by 521
Hansch, C., Björkroth, J. P., & Leo, A. (1987) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.2600760902 · Cited by 438
Correlation of Drug Absorption with Molecular Surface Properties
Palm, K., Luthman, K., Unge, A.-L., Strandlund, G., & Artursson, P. (1996) · Journal of Pharmaceutical Sciences · doi:10.1021/js950285r · Cited by 412
Cited by
Drug Transport across the Blood–Brain Barrier
Pardridge, W. M. (2012) · Journal of Cerebral Blood Flow & Metabolism · doi:10.1038/jcbfm.2012.126 · Cited by 1,994
U.S. FDA Approved Drugs from 2015–June 2020: A Perspective
Bhutani, P., Joshi, G., Raja, N., Bachhav, N., Rajanna, P. K., Bhutani, H., Paul, A. T., & Kumar, R. (2021) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.0c01786 · Cited by 815
Overcoming the Blood–Brain Barrier: The Role of Nanomaterials in Treating Neurological Diseases
Furtado, D., Björnmalm, M., Ayton, S., Bush, A. I., Kempe, K., & Caruso, F. (2018) · Advanced Materials · doi:10.1002/adma.201801362 · Cited by 708
Deane, R., Singh, I., Sagare, A. P., Bell, R. D., Ross, N. T., LaRue, B., Love, R., Perry, S., Paquette, N., Deane, R. J., et al. (2012) · Journal of Clinical Investigation · doi:10.1172/jci58642 · Cited by 619
Waterhouse, R. (2003) · Molecular Imaging & Biology · doi:10.1016/j.mibio.2003.09.014 · Cited by 567
Metadata
- Authors
- van de Waterbeemd, H., Camenisch, G., Folkers, G., Chretien, J. R., & Raevsky, O. A.
- Venue
- Journal of Drug Targeting
- Publisher
- Informa UK Limited
- Published
- 1998-01
- Volume
- 6
- Issue
- 2
- Pages
- 151-165
- ISSN
- 1026-7158 (ISSN-L)
- 1061-186X
- 1029-2330
- OpenAlex
- W2144135270
- Cited by
- 587
- References
- 37
- FWCI
- 13.56
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors. https://app.cochat.ai/papers/10.3109/10611869808997889
- The paper
- van de Waterbeemd, H., Camenisch, G., Folkers, G., Chretien, J. R., & Raevsky, O. A. (1998). Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors. Journal of Drug Targeting. https://doi.org/10.3109/10611869808997889
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
