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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.
Appears in Collections:Scholarly Works - CenMMB
Scholarly Works - FacM&SPB
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Xjenza, 2016, Volume 4, Issue 2
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