Brian k. shoichet
WebFeb 2, 2024 · Brian K. Shoichet, Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, California ... Wang S; Balius TE; Singh I; Levit A; Moroz YS; L O’Meara MJ; Che T; Algaa E; Tolmachova K; Tolmachev AA; Shoichet BK; Roth BL; Irwin JJ Ultra-large library docking for discovering new chemotypes. Nature … WebJul 8, 2024 · In the current work, the authors identified 132 SARS-CoV-2 MPro inhibitors belonging to 37 different scaffold classes and exhibit half-maximal inhibitory concentrations (IC50) less than 150 µM ...
Brian k. shoichet
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Web250. 216. Brian Shoichet. Professor of Pharmaceutical Chemistry, University of California, San Francisco. Verified email at cgl.ucsf.edu. Drug discovery molecular docking protein … WebCo-Vice Dean of Graduate Pharmacy Education Programs. Professor. Department of Pharmaceutical Chemistry. [email protected]. Phone: +1 415 514-4126. Fax: +1 415 514-4260. 1700 4th St, Rm 508D. UCSF …
WebThe Shoichet lab seeks to discover chemical reagents that can illuminate biological problems. A longstanding effort to do so is by exploiting protein structures to predict new … WebAuthor(s): Merski, Matthew; Shoichet, Brian K Abstract: Synthetic cavitands and protein cavities have been widely studied as models for ligand recognition. Here we investigate the Met102 → His substitution in the artificial L99A cavity in T4 lysozyme as a Kemp eliminase. ... The resulting enzyme had k(cat)/K(M) = 0.43 M(-1) s(-1) and a (k ...
WebAU - Shoichet, Brian K. AU - Kobilka, Brian K. PY - 2012/5. Y1 - 2012/5. N2 - G-protein-coupled receptors (GPCRs) represent a large family of signaling proteins that includes … WebCompound Sources and Filters. We use 10 vendor catalogs, most of which are updated monthly on the Web or CD-ROM (Table 1A).We filter-out molecules with formula weight greater than 700, calculated LogP greater than 6 and less than − 4, number of hydrogen-bond donors greater than 6, number of hydrogen-bond acceptors greater than 11, and …
WebShoichet, Brian K Publication Date 2012-10-01 DOI 10.1073/pnas.1208076109 Peer reviewed eScholarship.org Powered by the California Digital Library ... Shoichet BK, Baase WA, Kuroki R, Matthews BW (1995) A relationship between protein stability and protein function. Proc Natl Acad Sci USA 92:452–456.
WebAuthor(s): Kruse, Andrew C; Weiss, Dahlia R; Rossi, Mario; Hu, Jianxin; Hu, Kelly; Eitel, Katrin; Gmeiner, Peter; Wess, Jürgen; Kobilka, Brian K; Shoichet, Brian K Abstract: G protein-coupled receptors (GPCRs) regulate virtually all aspects of human physiology and represent an important class of therapeutic drug targets. Many GPCR-targeted drugs … twofold artinyaWebK i values for 5-HT2A, 5-HT2B, and 5-HT2C of 1,685, 329.5, and 56 nM, respectively. Similarly, it had a K i of531 nM against DAT. This, in turn, led us to test the molecule against the norepinephr-ine (NET) and serotonin (SERT) transporters, where its K i values, at 33 and 29 nM, were more substantial still. Conversely, talking clock timeWebJan 17, 1995 · DOI: 10.1073/PNAS.92.2.452 Corpus ID: 10466376; A relationship between protein stability and protein function. @article{Shoichet1995ARB, title={A relationship between protein stability and protein function.}, author={Brian K. Shoichet and W. A. Baase and Ryota Kuroki and Brian W. Matthews}, journal={Proceedings of the National … twofold basis of obscenity