The DOI matches its Crossref record; 75 of the 75 references it cites were found in a registry or an index.
Drug Design by Pharmacophore and Virtual Screening Approach
Open accessAbstract
Computer-aided drug discovery techniques reduce the time and the costs needed to develop novel drugs. Their relevance becomes more and more evident with the needs due to health emergencies as well as to the diffusion of personalized medicine. Pharmacophore approaches represent one of the most interesting tools developed, by defining the molecular functional features needed for the binding of a molecule to a given receptor, and then directing the virtual screening of large collections of compounds for the selection of optimal candidates. Computational tools to create the pharmacophore model and to perform virtual screening are available and generated successful studies. This article describes the procedure of pharmacophore modelling followed by virtual screening, the most used software, possible limitations of the approach, and some applications reported in the literature.
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Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
Genheden, S., & Ryde, U. (2015) · Expert Opinion on Drug Discovery · doi:10.1517/17460441.2015.1032936 · Cited by 5,534
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058
PubChem in 2021: new data content and improved web interfaces
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2021) · Nucleic Acids Research · doi:10.1093/nar/gkaa971 · Cited by 3,953
Cramer, R. D., Patterson, D. E., & Bunce, J. D. (1988) · Journal of the American Chemical Society · doi:10.1021/ja00226a005 · Cited by 3,931
DrugBank: a knowledgebase for drugs, drug actions and drug targets
Wishart, D. S., Knox, C., Guo, A. C., Cheng, D., Shrivastava, S., Tzur, D., Gautam, B., & Hassanali, M. (2008) · Nucleic Acids Research · doi:10.1093/nar/gkm958 · Cited by 2,861
Goodford, P. J. (1985) · Journal of Medicinal Chemistry · doi:10.1021/jm00145a002 · Cited by 2,634
Molecular Docking and Structure-Based Drug Design Strategies
Ferreira, L., Dos Santos, R., Oliva, G., & Andricopulo, A. (2015) · Molecules · doi:10.3390/molecules200713384 · Cited by 2,528
Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Mysinger, M. M., Carchia, M., Irwin, J. J., & Shoichet, B. K. (2012) · Journal of Medicinal Chemistry · doi:10.1021/jm300687e · Cited by 2,412
Gaulton, A., Hersey, A., Nowotka, M., Bento, A. P., Chambers, J., Mendez, D., Mutowo, P., Atkinson, F., Bellis, L. J., Cibrián-Uhalte, E., et al. (2017) · Nucleic Acids Research · doi:10.1093/nar/gkw1074 · Cited by 2,330
Research works printed but not linked: 5
- Singh, D.B., and Pathak, R.K. (2021). Pharmacophore modeling and its application. Bioinformatics: Methods and Applications, Academic Press.
- Mitra, 2010, Pharmacophore mapping of arylamino-substituted benzo[b]thiophenes as free radical scavengers, J. Mol. Model., 16, 1585, 10.1007/s00894-010-0661-4 · doi:10.1007/s00894-010-0661-4
- Boz, E., and Stein, M. (2021). Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. Int. J. Mol. Sci., 22. · doi:10.3390/ijms22063078
- Sutter, 2011, New features that improve the pharmacophore tools from Accelrys, Curr. Comput. Aided Drug Des., 7, 173, 10.2174/157340911796504305 · doi:10.2174/157340911796504305
- Dror, 2008, PharmaGist: A webserver for ligand-based pharmacophore detection, Nucleic Acids Res., 36, W223, 10.1093/nar/gkn187 · doi:10.1093/nar/gkn187
Cited by
Barraza, G. A., Castro-Guijarro, A. C., de la Fuente Hoffmann, V., Bolívar Ávila, S. J., Flamini, M. I., & Sanchez, A. M. (2024) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2024.108988 · Cited by 9
Metadata
- Authors
- Giordano, D., Biancaniello, C., Argenio, M. A., & Facchiano, A.
- Venue
- Pharmaceuticals
- Publisher
- MDPI AG
- Published
- 2022-05-23
- Volume
- 15
- Issue
- 5
- Pages
- 646
- ISSN
- 1424-8247 (ISSN-L)
- OpenAlex
- W4281476460
- Cited by
- 384
- References
- 75
- FWCI
- 36.49
- Type
- journal article
- Language
- en
- Open access
- gold
- Funders
- CIR01_00017-“CNRBiOmics–Centro Nazionale di Ricerca in Bioinformatica per le Scienze “Omiche”–Rafforzamento del capitale umano (MUR, CUP B56J20000960001)
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- Giordano, D., Biancaniello, C., Argenio, M. A., & Facchiano, A. (2022). Drug Design by Pharmacophore and Virtual Screening Approach. Pharmaceuticals. https://doi.org/10.3390/ph15050646
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