Dr Shuguang Yuan obtained his master degree in biochemistry and structural biology from the Shanghai Institute of Organic Chemistry (SIOC), Chinese Academy of Sciences in 2009. Following that, his doctoral dissertation was funded by the Maria Curia Fellowship. It was conducted in three different institutes in Europe: EPFL(Switzerland), Polish Academy of Science(Poland) and KULeuven University(Belgium). In his research, he investigated the principles of various biological systems including enzymes, kinases, ion channels, transporters and, in particular, G protein-coupled receptors (GPCRs). In June 2013, he was awarded with a PhD title with the honor of distinguished thesis. Following that, he was offered the Marie Curie ETH Postdoc Fellowship. In 2014, Dr. Yuan proposed the activation mechanism and the continuous water channel of GPCRs (Nature Communications, 2014), which are widely recognized in this area. Dr. Yuan is currently working at Idorsia Phamarceutical Ltd as a specialist in computer-aided drug design (CADD). In the past few years, he has advanced two of his designed molecules into clinical trials. In 2016, he was invited to join the editorial board of the Journal of Bioinformatics, Computational and Systems Biology. In 2018, he was honored with a title of "affiliate professor" by the University of Warsaw.read more
Currently, Dr. Shuguang Yuan is focused on the signalling mechanism and computer aided drug discovery (CADD) of G protein-coupled receptors (GPCRs). GPCRs regulate central human physiological responses to neurotransmitters, hormones, and environmental stimuli, and are among the most important therapeutic targets for many diseases including diabetes, pain, cancer, Alzheimer's disease and so on. About 40% of all marketed medicines are targeting GPCRs. Besides that, he is also interested in investigating enzyme catalytic mechanisms and enzyme engineerings. Furthermore, ligand-gated ion channels, transporters, kinase and disordered proteins are also within his research scopes. Dr. Yuan wishes that his work can benefit the entire human health exensively.read more
Dr. Shuguang Yuan has established an extensively international collaboration network in the area of structural biology, biochemistry and medicinal chemistry. These include the University of Southern California, iHuman Institute of the ShanghaiTech Unviersity, Case Western Reserve University, Swiss Federal Institute of Technology Lausanne (EPFL), University of California Los Angeles(UCLA), Max-Planck Institute, University of Copenhagen, Shanghai Institute of Organic Chenistry (SIOC, CAS), Fudan University, to name a few. Dr. Shuguang Yuan is involved in the GPCR Glisten network. He has also established extensive industrial network for drug discovery.read more
Scientific work Dr. Shuguang Yuan 20 July 2018
Our team has found a new ligand binding pocket next to the highly conserved D2.50 residue of GPCRs, using all-atom long time scale molecular dynamics simulations. This has been confirmed by the follow-up mutagenesis studies which were finished at the iHuman Institute in ShanghaiTech University. Systimatical analysis on over 200 GPCRs crystal structures indicated that this potential new binding site widely exists in most family A GPCRs. This story is going to be published as a back side cover story in Chemical Science (doi:10.1039/C8SC01680A). Congratuations to all contributors.
Scientific network Dr. Shuguang Yuan 11, July 2018, Basel, Switzerland
Prof. Zhijie Liu, the executive director of the iHuman Institute at the ShanghaiTech Unviersity, has been invited by Dr. Yuan to Idorsia at Basel for a sceintific talk on the latest progesses of GPCR research.
invited talk Dr. Shuguang Yuan 15, June 2018, Heidelberg, Germany
Dr. Yuan has been invited to the Heidelberg University in Germany for a talk. He is going to give a presention on the activation mechanism and drug discovery of GPCRs.
Scientific Work Dr. Shuguang Yuan 14, December 2017
Dr. Yuan has found a new catalytic binding site for enzyme CCH which is different from the one observed in the crystal structure. This result was confirmed by subsequent mutagenesis study. Dr. Yuan also captured the substrate entrance pathway and product leaving pathway, using metaMD simulations. A catalytic mechanism was proposed for CCH by Dr. Yuan. This work was published in Nature Communications (doi:10.1038/s41467-017-01508-1) recenntly. Besides that, Dr. Yuan introudced quantum mechanics (QM), as well as molecular dynamics (MD) simulations, to reveal the stereoselectivity of enzyme LEH. A catalytic mechanism was also proposed by Dr. Yuan. This work was published in JACS (doi:10.1021/jacs.7b10278) recently.
invited talk Dr. Shuguang Yuan May 15-19 2017, Suzhou, China
Dr. Yuan has been invited to the Cold Spring Harbor Conference on membrane protein. He will give a talk on a successful story of odorant receptor drug discovery.
Scientific news Dr. Shuguang Yuan April 20 2017
Our work on PyMOL and Computer-Aided Drug Discovery (CADD) appeals to a broad scientific audience. It has been highlighted in the Wiley Advanced Science News.
Publication Dr. Shuguang Yuan Feb 2017,Wiley Online Library
The publication (doi:10.1002/wcms.1298) entitled "Using PyMOL as a platform for computational drug design" has been selected as a cover story (doi:10.1002/wcms.1303)for WIREs Computational Molecular Science. It would be published online in February, 2017