The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Estimation of Caco‐2 Cell Permeability using Calculated Molecular Descriptors
Abstract
Permeability of a compound by passive diffusion through a biological membrane such as Caco‐2 cell monolayers depends mainly on lipophilicity, molecular size and hydrogen bonding capacity of the solute. Since these properties are often used in structure‐permeability correlations, we have evaluated different calculated descriptors for size and hydrogen bonding, as well as their intercorrelations. A new descriptor for hydrogen bonding potential is introduced. It is demonstrated that a combination of appropriate size and H‐bonding descriptors using graphical or Eq.‐based approaches may be of potential use for membrane permeation estimation.
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Citations
Cites
Lipid solubility and drug penetration of the blood brain barrier
Oldendorf, W. H. (1974) · Experimental Biology and Medicine · doi:10.3181/00379727-147-38444 · Cited by 373
Cited by
Artursson, P., Palm, K., & Luthman, K. (2001) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(00)00128-9 · Cited by 1,543
van de Waterbeemd, H., Camenisch, G., Folkers, G., Chretien, J. R., & Raevsky, O. A. (1998) · Journal of Drug Targeting · doi:10.3109/10611869808997889 · Cited by 587
Self-citationLennernäs, H., & Fager, G. (1997) · Clinical Pharmacokinetics · doi:10.2165/00003088-199732050-00005 · Cited by 527
Caco-2 monolayers in experimental and theoretical predictions of drug transport
Artursson, P., Palm, K., & Luthman, K. (2012) · Advanced Drug Delivery Reviews · doi:10.1016/j.addr.2012.09.005 · Cited by 279
Membrane Transport of Drugs in Different Regions of the Intestinal Tract of the Rat
Ungell, A.-L., Nylander, S., Bergstrand, S., Sjöberg, Å., & Lennernäs, H. (1998) · Journal of Pharmaceutical Sciences · doi:10.1021/js970218s · Cited by 257
Metadata
- Authors
- van De Waterbeemd, H., Camenisch, G., Folkers, G., & Raevsky, O. A.
- Venue
- Quantitative Structure-Activity Relationships
- Publisher
- Wiley
- Published
- 1996-01
- Volume
- 15
- Issue
- 6
- Pages
- 480-490
- ISSN
- 0931-8771 (ISSN-L)
- 1521-3838
- OpenAlex
- W2151681059
- Cited by
- 200
- References
- 1
- FWCI
- 11.85
- Type
- journal article
- Language
- en
- Open access
- closed
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- van De Waterbeemd, H., Camenisch, G., Folkers, G., & Raevsky, O. A. (1996). Estimation of Caco‐2 Cell Permeability using Calculated Molecular Descriptors. Quantitative Structure-Activity Relationships. https://doi.org/10.1002/qsar.19960150604
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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.
