The DOI matches its Crossref record; 52 of the 52 references it cites were found in a registry or an index.
The significance of acid/base properties in drug discovery
Open accessAbstract
While drug discovery scientists take heed of various guidelines concerning drug-like character, the influence of acid/base properties often remains under-scrutinised. Ionisation constants (pK(a) values) are fundamental to the variability of the biopharmaceutical characteristics of drugs and to underlying parameters such as logD and solubility. pK(a) values affect physicochemical properties such as aqueous solubility, which in turn influences drug formulation approaches. More importantly, absorption, distribution, metabolism, excretion and toxicity (ADMET) are profoundly affected by the charge state of compounds under varying pH conditions. Consideration of pK(a) values in conjunction with other molecular properties is of great significance and has the potential to be used to further improve the efficiency of drug discovery. Given the recent low annual output of new drugs from pharmaceutical companies, this review will provide a timely reminder of an important molecular property that influences clinical success.
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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
The influence of drug-like concepts on decision-making in medicinal chemistry
Leeson, P. D., & Springthorpe, B. (2007) · Nature Reviews Drug Discovery · doi:10.1038/nrd2445 · Cited by 2,403
Structure and chemistry of cytochrome p450
Denisov, I. G., Makris, T. M., Sligar, S. G., & Schlichting, I. (2005) · Chemical Reviews · doi:10.1021/cr0307143 · Cited by 2,106
Ligand efficiency: a useful metric for lead selection
Hopkins, A. L., Groom, C. R., & Alex, A. (2004) · Drug Discovery Today · doi:10.1016/s1359-6446(04)03069-7 · Cited by 1,846
A Medicinal Chemist’s Guide to Molecular Interactions
Bissantz, C., Kuhn, B., & Stahl, M. (2010) · Journal of Medicinal Chemistry · doi:10.1021/jm100112j · Cited by 1,731
Wager, T. T., Hou, X., Verhoest, P. R., & Villalobos, A. (2010) · ACS Chemical Neuroscience · doi:10.1021/cn100008c · Cited by 1,063
Martin, Y. C. (2005) · Journal of Medicinal Chemistry · doi:10.1021/jm0492002 · Cited by 1,020
Generation of a Set of Simple, Interpretable ADMET Rules of Thumb
Gleeson, M. P. (2008) · Journal of Medicinal Chemistry · doi:10.1021/jm701122q · Cited by 969
Physiochemical drug properties associated with in vivo toxicological outcomes
Hughes, J. D., Blagg, J., Price, D. A., Bailey, S., DeCrescenzo, G. A., Devraj, R. V., Ellsworth, E., Fobian, Y. M., Gibbs, M. E., Gilles, R. W., et al. (2008) · Bioorganic & Medicinal Chemistry Letters · doi:10.1016/j.bmcl.2008.07.071 · Cited by 946
Crystal structure of human cytochrome P450 2C9 with bound warfarin
Williams, P. A., Cosme, J., Ward, A., Angove, H. C., Matak Vinković, D., & Jhoti, H. (2003) · Nature · doi:10.1038/nature01862 · Cited by 821
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In silico ADME/T modelling for rational drug design
Wang, Y., Xing, J., Xu, Y., Zhou, N., Peng, J., Xiong, Z., Liu, X., Luo, X., Luo, C., Chen, K., et al. (2015) · Quarterly Reviews of Biophysics · doi:10.1017/s0033583515000190 · Cited by 367
Schneider, M., Radoux, C. J., Hercules, A., Ochoa, D., Dunham, I., Zalmas, L.-P., Hessler, G., Ruf, S., Shanmugasundaram, V., Hann, M. M., et al. (2021) · Nature Reviews Drug Discovery · doi:10.1038/s41573-021-00245-x · Cited by 273
Advances in the physicochemical profiling of opioid compounds of therapeutic interest
Mazák, K., Noszál, B., & Hosztafi, S. (2019) · ChemistryOpen · doi:10.1002/open.201900115 · Cited by 27
Metadata
- Authors
- Manallack, D. T., Prankerd, R. J., Yuriev, E., Oprea, T. I., & Chalmers, D. K.
- Venue
- Chem. Soc. Rev.
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2013
- Volume
- 42
- Issue
- 2
- Pages
- 485-496
- ISSN
- 0306-0012 (ISSN-L)
- 1460-4744
- OpenAlex
- W2086806820
- Cited by
- 329
- References
- 52
- FWCI
- 0.64
- Type
- journal article
- Language
- en
- Open access
- green
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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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