Computational methods for prediction of drug properties - application to Cytochrome P450 metabolism prediction

Autor: Mihai Burai Patrascu, Jessica Plescia, Amit Kalgutkar, Vincent Mascitti, Nicolas Moitessier

Publikováno v: ARKIVOC, Vol 2019, Iss 4, Pp 280-298 (2019)

Externí odkaz: https://doaj.org/article/0cd7dd09f8ea43a9836cfa361b939f2d

Optimizing the Benefit/Risk of Acetyl-CoA Carboxylase Inhibitors through Liver Targeting

Autor: Shawn D. Doran, Jana Polivkova, James A. Southers, Scott W. Bagley, Kim Huard, Dilinie P. Fernando, Manthena V.S. Varma, David A. Beebe, David J. Edmonds, Robert L. Dow, Benjamin A. Thuma, Collin Crowley, William P. Esler, Trenton T. Ross, David A. Tess, Mark Niosi, Amit S. Kalgutkar, Jeffrey A. Pfefferkorn, Norimitsu Shirai, David A. Griffith, Shawn Cabral, Andrew H. Smith, Gregg D. Cappon, Vincent Mascitti, Matthew S. Dowling, Andre Shavnya, David Price, Ayman El-Kattan, Aaron C. Smith, Yi-an Bi, Spiros Liras, Xiaojing Helen Yang, Cathy Préville

Publikováno v: Journal of Medicinal Chemistry. 63:10879-10896

Preclinical and clinical data suggest that acetyl-CoA carboxylase (ACC) inhibitors have the potential to rebalance disordered lipid metabolism, leading to improvements in nonalcoholic steatohepatitis (NASH). Consistent with these observations, first-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07da4330450bd15b2bafcbaadc0cc94b
https://doi.org/10.1021/acs.jmedchem.0c00640

Receptor-Mediated Delivery of CRISPR-Cas9 Endonuclease for Cell-Type-Specific Gene Editing

Autor: Ariana Hirsh, Robert Dullea, Meihua Tu, Spiros Liras, Joan Compte Barrón, Kris A. Borzilleri, Nannan Ma, Rima Mendonsa, Justin Bellenger, Romain Rouet, Lorena de Oñate, Xidong Feng, Jennifer A. Doudna, Nathanael G. Lintner, David M. Rubitski, Benjamin A. Thuma, Marc D. Roy, Alison H. Varghese, Kim F. McClure, Ross C. Wilson, Thomas J. McLellan, Hanna M. Wisniewska, James E. Finley, Boris A. Chrunyk, Vincent Mascitti, Kaihong Zhou, Kevin D. Hesp

Publikováno v: Journal of the American Chemical Society, vol 140, iss 21
Rouet, Romain; Thuma, Benjamin A; Roy, Marc D; Lintner, Nathanael G; Rubitski, David M; Finley, James E; et al.(2018). Receptor-Mediated Delivery of CRISPR-Cas9 Endonuclease for Cell-Type-Specific Gene Editing.. Journal of the American Chemical Society, 140(21), 6596-6603. doi: 10.1021/jacs.8b01551. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/61k3t664

CRISPR-Cas RNA-guided endonucleases hold great promise for disrupting or correcting genomic sequences through site-specific DNA cleavage and repair. However, the lack of methods for cell- and tissue-selective delivery currently limits both research a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9af967c5dc058dcd0e0a6cfe05eb8b81
https://doi.org/10.1021/jacs.8b01551

2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-1,3-dithiane

Autor: Brian Samas, Cathy Préville, Benjamin A Thuma, Vincent Mascitti

Publikováno v: Acta Crystallographica Section E, Vol 66, Iss 6, Pp o1386-o1386 (2010)

In the title compound, C19H21ClOS2, the dithiane ring adopts a chair conformation. The dihedral angle between the benzene rings is 87.88 (4)°. In the crystal, inversion dimmers linked by pairs of C—H...O interactions occur.

Externí odkaz: https://doaj.org/article/1a7361d6f2554633a9796f8b3970341e

Receptor‐Mediated Delivery of CRISPR‐Cas9 Endonuclease for Cell Type Specific Gene Editing

Autor: Robert Dullea, Kris A. Borzilleri, Romain Rouet, Vincent Mascitti, Ross C. Wilson, Boris A. Chrunyk, Ariana Hirsh, Benjamin A. Thuma, Xidong Feng, Jennifer A. Doudna, Hanna M. Wisniewska, Spiros Liras, Thomas J. McLellan, Kaihong Zhou, Kim F. McClure, James E. Finley, Joan Compte Barrón, Kevin D. Hesp, Meihua Tu, David M. Rubitski, Lorena de Oñate, Alison H. Varghese, Rima Mendonsa, Nannan Ma, Justin Bellenger, Marc D. Roy, Nathanael G. Lintner

Publikováno v: The FASEB Journal. 32

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f270393f8db883382554c04a0d34fe48
https://doi.org/10.1096/fasebj.2018.32.1_supplement.649.2