The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic
Abstract
Drug discovery and development is an interdisciplinary, expensive and time-consuming process. Scientific advancements during the past two decades have changed the way pharmaceutical research generate novel bioactive molecules. Advances in computational techniques and in parallel hardware support have enabled in silico methods, and in particular structure-based drug design method, to speed up new target selection through the identification of hits to the optimization of lead compounds in the drug discovery process. This review is focused on the clinical status of experimental drugs that were discovered and/or optimized using computer-aided drug design. We have provided a historical account detailing the development of 12 small molecules (Captopril, Dorzolamide, Saquinavir, Zanamivir, Oseltamivir, Aliskiren, Boceprevir, Nolatrexed, TMI-005, LY-517717, Rupintrivir and NVP-AUY922) that are in clinical trial or have become approved for therapeutic use.
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Cites
A metalloproteinase disintegrin that releases tumour-necrosis factor-α from cells
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HSP90 and the chaperoning of cancer
Whitesell, L., & Lindquist, S. L. (2005) · Nature Reviews Cancer · doi:10.1038/nrc1716 · Cited by 2,502
Rational design of potent sialidase-based inhibitors of influenza virus replication
von Itzstein, M., Wu, W.-Y., Kok, G. B., Pegg, M. S., Dyason, J. C., Jin, B., Van Phan, T., Smythe, M. L., White, H. F., Oliver, S. W., et al. (1993) · Nature · doi:10.1038/363418a0 · Cited by 1,862
Irreversible Inhibitors of Serine, Cysteine, and Threonine Proteases
Powers, J. C., Asgian, J. L., Ekici, Ö. D., & James, K. E. (2002) · Chemical Reviews · doi:10.1021/cr010182v · Cited by 1,090
Cited by
Salmaso, V., & Moro, S. (2018) · Frontiers in Pharmacology · doi:10.3389/fphar.2018.00923 · Cited by 666
In silico methods and tools for drug discovery
Shaker, B., Ahmad, S., Lee, J., Jung, C., & Na, D. (2021) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2021.104851 · Cited by 607
Forging the basis for developing protein-ligand interaction scoring functions.
Liu, Z., Su, M., Han, L., Liu, J., Yang, Q., Li, Y., & Wang, R. (2017) · Accounts of Chemical Research · doi:10.1021/acs.accounts.6b00491 · Cited by 493
Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark
Gaillard, T. (2018) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.8b00312 · Cited by 473
Artificial Intelligence and Machine Learning Technology Driven Modern Drug Discovery and Development
Sarkar, C., Das, B., Rawat, V. S., Wahlang, J. B., Nongpiur, A., Tiewsoh, I., Lyngdoh, N. M., Das, D., Bidarolli, M., & Sony, H. T. (2023) · International Journal of Molecular Sciences · doi:10.3390/ijms24032026 · Cited by 347
Metadata
- Authors
- Talele, T., Khedkar, S., & Rigby, A.
- Venue
- Current Topics in Medicinal Chemistry
- Publisher
- Bentham Science Publishers Ltd.
- Published
- 2010-01-01
- Volume
- 10
- Issue
- 1
- Pages
- 127-141
- ISSN
- 1568-0266 (ISSN-L)
- OpenAlex
- W2132094707
- Cited by
- 407
- References
- 4
- FWCI
- 8.42
- Type
- journal article
- Language
- en
- Open access
- closed
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- Talele, T., Khedkar, S., & Rigby, A. (2010). Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic. Current Topics in Medicinal Chemistry. https://doi.org/10.2174/156802610790232251
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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.
