个人简介

Apart from brief sabbaticals at Harvard, Rod Hubbard’s academic career has been at the University of York. During the 1980s he was a pioneer in the development of molecular graphics and modeling systems for studying protein structure (HYDRA and QUANTA), which introduced methods that are still in use today. In the 1990s, he helped to build (and directed) the Structural Biology Laboratory at York as a major centre, with over 80 scientists studying the structure and function of proteins. For the past fifteen years, his personal research interests have focused on understanding the relationship between structure, mechanism and function in various protein systems (including proteases, nuclear receptors and kinases) and experimental and theoretical studies of protein-ligand interactions. Since 2001, he has spent some of his time at the company Vernalis, where he helped establish and apply structure-based drug discovery methods. He is a consultant to a number of pharmaceutical and technology companies, sits on a number of Research Council committees and boards and is chair of various external advisory groups for large scale academic projects.

研究领域

Structure-based drug discovery

My research interests are in using information about protein structures to design small molecule compounds that change the way proteins work. I divide my time between academic research within YSBL at York and applied research at the pharmaceutical company, Vernalis. At Vernalis, we use the methods of structure-based drug discovery to discover new compounds which can be taken forward in clinical trials to treat various diseases and conditions, including cancer,

近期论文

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Erlanson, D., Fesik, S., Hubbard, R.E., Jahnke, W., Jothi, H. (2016) “Twenty years on: the impact of fragments on drug discovery” Nature Reviews Drug Discovery, published on line 20 July 2016, doi:10.1038/nrd.2016.109 Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase Darby et al. (2014) Angew Chemie Int Ed, 53, 13419-13423 rDock: A fast, versatile and open source program for docking ligands to proteins and nucleic acids Ruiz-Carmona et al. (2014) PLoS Comp Biol 10 Article Number: e1003571 Fragment screening by weak affinity chromatography (WAC): Comparison with established techniques for screening against HSP90 Meiby et al. (2013) Anal Chem 85, 6756–6766 Hsp90 inhibitors and drugs from fragment and virtual screening Roughley et al. (2012) Top Current Chem, 317, 61-82 Experiences in fragment-based lead discovery Murray, J.M. and Hubbard, R.E. (2011) Methods in Enzymology, 493, 509-532 Design of a fragment library that maximally represents available chemical space Schulz et al. (2011) JCAMD, 25, 611-620