Zobrazeno 1 - 10
of 34
pro vyhledávání: '"Eric Therrien"'
Autor:
Morgan Lawrenz, Mats Svensson, Mitsunori Kato, Karen Dingley, Jackson Chief Elk, Zhe Nie, Yefen Zou, Zachary Kaplan, H. Rachel Lagiakos, Hideyuki Igawa, Eric Therrien
The blood-brain barrier (BBB) plays a critical role in preventing harmful endogenous and exogenous substances from penetrating the brain. Optimal brain penetration of small molecule CNS drugs is characterized by a high unbound brain/plasma ratio (Kp,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::35971fc91b5f6bdf155f34769aaa5326
https://doi.org/10.26434/chemrxiv-2023-26xd8
https://doi.org/10.26434/chemrxiv-2023-26xd8
Autor:
J. Kuai, Silvana Leit, Liang Tong, Byron DeLaBarre, H.J. Harwood Jr., Eric Therrien, S. Rafi, Jia Wei
Publikováno v:
Nature. 568:566-570
ATP-citrate lyase (ACLY) is a central metabolic enzyme and catalyses the ATP-dependent conversion of citrate and coenzyme A (CoA) to oxaloacetate and acetyl-CoA1–5. The acetyl-CoA product is crucial for the metabolism of fatty acids6,7, the biosynt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b5bd109a25019c765bd3ab2063bb651
https://doi.org/10.1038/s41586-019-1094-6
https://doi.org/10.1038/s41586-019-1094-6
Autor:
Bret Williams, Alexander Taylor, Olivia Orozco, Christopher Owen, Elizabeth Kelley, Andre Lescarbeau, Kelley Shortsleeves, Randy Kipp, Vy Nguyen, Erin Brophy, Jeremy Wilbur, Yong Tang, David Lanzetta, Nigel Waters, Sherri Smith, Fabrizio Giordanetto, Paul Maragakis, Jack Greismann, Lindsay Willmore, Eric Therrien, Yang Xiao, Marie Evangelista, Luca Gerosa, Eva Lin, Mark Merchant, Alfonso Arrazate, Emily Chan, Pablo Sáenz-López Larrocha, Stefan Chun, Thomas Hunsaker, Gauri Deshmukh, Christine M. Bowman, David E. Shaw, Mark Murcko, Mahesh Padval, W Patrick Walters, James Watters, Donald A. Bergstrom
Publikováno v:
Cancer Research. 82:3327-3327
The non-receptor protein tyrosine phosphatase SHP2 (PTPN11) plays an important role in the regulation of RAS/MAPK signal transduction downstream of growth factor receptor activation. Loss of SHP2 activity suppresses tumor cell growth, making SHP2 a p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a27f3f13f135d61fa8263431326684ed
https://doi.org/10.1158/1538-7445.am2022-3327
https://doi.org/10.1158/1538-7445.am2022-3327
Publikováno v:
Frontiers in Cellular Neuroscience
Frontiers in Cellular Neuroscience, Vol 13 (2019)
Frontiers in Cellular Neuroscience, Vol 13 (2019)
P2X receptors constitute a gene family of cation channels gated by extracellular ATP. They mediate fast ionotropic purinergic signaling in neurons and non-excitable cell types in vertebrates. The highly calcium-permeable P2X4 subtype has been shown t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ab4e93f1d0b3bc950fe03e99a128187
https://pubmed.ncbi.nlm.nih.gov/31024257
https://pubmed.ncbi.nlm.nih.gov/31024257
Autor:
Christopher R. Corbeil, Devin Lee, Anna Tomberg, Nathanael Weill, Eric Therrien, Nicolas Moitessier
Publikováno v:
Journal of Chemical Information and Modeling. 54:3198-3210
The use of predictive computational methods in the drug discovery process is in a state of continual growth. Over the last two decades, an increasingly large number of docking tools have been developed to identify hits or optimize lead molecules thro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2bcd3ad84ff220adbd72f223473097e7
https://doi.org/10.1021/ci500299h
https://doi.org/10.1021/ci500299h
Publikováno v:
Current Pharmaceutical Design. 20:3360-3372
A large number of research articles describe novel methodologies of docking and/or scoring methods. An even larger number of publications report the successful use of these methods in the identification of novel hit molecules. What is less documented
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9f5417e8141e63bf77fdc89116a62cc
https://doi.org/10.2174/13816128113199990606
https://doi.org/10.2174/13816128113199990606
Publikováno v:
Current Pharmaceutical Design. 20:3338-3359
Over the last two decades, computationally docking potential protein ligands (e.g., enzyme inhibitors) has become one of the most widely used strategies in computer aided drug design. While these docking methods were developed, some effort focused on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::213d487ecf096dcf4c56d7876648c4ca
https://doi.org/10.2174/13816128113199990605
https://doi.org/10.2174/13816128113199990605
Publikováno v:
Journal of Chemical Information and Modeling. 54:254-265
Metalloenzymes are ubiquitous proteins which feature one or more metal ions either directly involved in the enzymatic activity and/or structural properties (i.e., zinc fingers). Several members of this class take advantage of the Lewis acidic propert
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5774df746f17760e437bb52fb1ddd1c4
https://doi.org/10.1021/ci400550m
https://doi.org/10.1021/ci400550m
Autor:
Jia Wei, Salma Rafi, Silvana Leit, Byron DeLaBarre, H. James Harwood, Jun Kuai, Eric Therrien, Liang Tong
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 75:a371-a371
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2354aa088e80115937463fedc3eda1f
https://doi.org/10.1107/s0108767319096387
https://doi.org/10.1107/s0108767319096387
Autor:
Anna Tomberg, Pablo Englebienne, Nicolas Moitessier, Zhaomin Liu, Joshua Pottel, Eric Therrien, Christopher R. Corbeil
Publikováno v:
Accounts of chemical research. 49(9)
Computational methods for docking small molecules to proteins are prominent in drug discovery. There are hundreds, if not thousands, of documented examples-and several pertinent cases within our research program. Fifteen years ago, our first docking-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::18a3c67a8c4f67339055543d8be36251
https://pubmed.ncbi.nlm.nih.gov/27529781
https://pubmed.ncbi.nlm.nih.gov/27529781