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https://www.um.edu.mt/library/oar/handle/123456789/16001
Title: | Role of protein structure in drug discovery |
Authors: | Bonetta, Rosalin Ebejer, Jean Paul Seychell, Brandon Vella, Marita Hunter, Therese Hunter, Gary J. |
Keywords: | Drug discovery Amino acid sequence Crystallography, X-Ray Molecular dynamics -- Simulation methods |
Issue Date: | 2016-12 |
Publisher: | Malta Chamber of Scientists |
Citation: | Bonetta, R., Ebejer, J.P., Seychell, B., Vella, M., Hunter, T., & Hunter, G. J. (2016). Role of protein structure in drug discovery. Xjenza,4(2), 126-130 |
Abstract: | Many pharmaceuticals currently available were discovered either during the screening of natural of synthetic product libraries or by serendipitous observation. Such a \random" approach entails testing numerous compounds and developing countless high-throughput screening assays. On the other hand, a "rational" approach involves the structure-based route to drug discovery, where the structure of a target protein is determined. Hypothetical ligands may be predicted by molecular modelling, while movement of a molecule may be predicted by Molecular Dynamics Simulations prior to synthetic chemical synthesis of a particular molecule. Here, we will be discussing protein structure-based approaches to drug discovery. |
URI: | https://www.um.edu.mt/library/oar//handle/123456789/16001 |
Appears in Collections: | Scholarly Works - CenMMB Scholarly Works - FacM&SPB Xjenza, 2016, Volume 4, Issue 2 Xjenza, 2016, Volume 4, Issue 2 Xjenza, 2017, Volume 5, Special Issue: COST 2017 Xjenza, 2017, Volume 5, Special Issue: COST 2017 |
Files in This Item:
File | Description | Size | Format | |
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Role of Protein Structure in Drug Discovery.pdf | 1.84 MB | Adobe PDF | View/Open |
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