Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.

Autor: Kushol Gupta, Vesa Turkki, Scott Sherrill-Mix, Young Hwang, Grant Eilers, Louis Taylor, Charlene McDanal, Ping Wang, David Temelkoff, Robert T Nolte, Emile Velthuisen, Jerry Jeffrey, Gregory D Van Duyne, Frederic D Bushman

Publikováno v: PLoS Biology, Vol 14, Iss 12, p e1002584 (2016)

The allosteric inhibitors of integrase (termed ALLINIs) interfere with HIV replication by binding to the viral-encoded integrase (IN) protein. Surprisingly, ALLINIs interfere not with DNA integration but with viral particle assembly late during HIV r

Externí odkaz: https://doaj.org/article/2cbb091ccf0f4d93acbf92ec4b7cdc75

Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold

Autor: Eric P. Gillis, Kyle Parcella, Michael Bowsher, James H. Cook, Christiana Iwuagwu, B. Narasimhulu Naidu, Manoj Patel, Kevin Peese, Haichang Huang, Lourdes Valera, Chunfu Wang, Kasia Kieltyka, Dawn D. Parker, Jean Simmermacher, Eric Arnoult, Robert T. Nolte, Liping Wang, John A. Bender, David B. Frennesson, Mark Saulnier, Alan Xiangdong Wang, Nicholas A. Meanwell, Makonen Belema, Umesh Hanumegowda, Susan Jenkins, Mark Krystal, John F. Kadow, Mark Cockett, Robert Fridell

Publikováno v: Journal of Medicinal Chemistry. 66:1941-1954

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ec60862845d7a9e3c5ea18ee8c48c091
https://doi.org/10.1021/acs.jmedchem.2c01732

A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors

Autor: Young Do, Lisa A. Orband-Miller, Anthony Shillings, Joelle Le, Caterina Musetti, Gordon Saxty, Beth Pietrak, Simon Teanby Hodgson, Petrov Kimberly, Daniel J. Price, Stephen A. Thomson, Eugene L. Stewart, Christie Schulte, Ashley Paul Hancock, Terrence L. Smalley, Michael R. Jeune, H. Fritz Kramer, Chuck Poole, Heather Hobbs, Kirsten M. Kahler, J. Darren Stuart, Paul N. Mortenson, Robert T. Nolte, Jason A. Holt, David N. Deaton, Don O. Somers, Elsie Diaz, Jeffrey Guss, Robert T. Gampe, Peckham Gregory

Publikováno v: Bioorganic & Medicinal Chemistry Letters. 47:128113

Through an internal virtual screen at GlaxoSmithKline a distinct class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors were discovered. Careful evaluation of crystal structures and SAR led to a novel, potent, and orally active imida

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b7e5ec2ff7577c529db47e5be2c91881
https://doi.org/10.1016/j.bmcl.2021.128113

Allosteric Inhibition of Human Immunodeficiency Virus Integrase

Autor: Troy Brady, Benjamin M. Dyer, Emile Johann Velthuisen, Nirav Malani, Kushol Gupta, Jerry Jeffrey, Gregory D. Van Duyne, Young Hwang, Liping Wang, Frances Male, Robert T. Nolte, Frederic D. Bushman

Publikováno v: Journal of Biological Chemistry. 289:20477-20488

HIV-1 replication in the presence of antiviral agents results in evolution of drug-resistant variants, motivating the search for additional drug classes. Here we report studies of GSK1264, which was identified as a compound that disrupts the interact

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::82e64e87e11f3a4ad17bd100ffd0db46
https://doi.org/10.1074/jbc.m114.551119

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

Autor: Oliver S. Smart, Paul Emsley, Cary B. Bauer, David A. Case, John L. Markley, Joseph Marcotrigiano, Jasmine Young, Atsushi Nakagawa, Seth F. Harris, Haruki Nakamura, Wolfram Tempel, Radka Svobodová, T. Krojer, Pamela A. Williams, Robert T. Nolte, Catherine E. Peishoff, Jorg Hendle, Chenghua Shao, Jeff Blaney, Dale E. Tronrud, Paul D. Adams, Randy J. Read, Marc C. Nicklaus, Kirk Clark, Helen M. Berman, Jeffrey A. Bell, Evan E Bolton, Suzanna C. Ward, Stephen K. Burley, Alan E. Mark, Garib N. Murshudov, Victoria A. Feher, Matthew T. Miller, John Spurlino, Sameer Velankar, Steven Sheriff, Tom Darden, Wladek Minor, Talapady N. Bhat, John D. Westbrook, Gerard J. Kleywegt, Terry R. Stouch, Huanwang Yang, Gérard Bricogne, Thomas C. Terwilliger, Anil K. Padyana, Zukang Feng, Colin R. Groom, Andrzej Joachimiak, David G. Brown, Anthony Nicholls, Gaetano T. Montelione, Thomas Holder, Kathleen Aertgeerts, Stephen M. Soisson, Gregory L. Warren, Susan Pieniazek

Publikováno v: Structure (London, England : 1993), vol 24, iss 4
Adams, PD; Aertgeerts, K; Bauer, C; Bell, JA; Berman, HM; Bhat, TN; et al.(2016). Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop. Structure, 24(4), 502-508. doi: 10.1016/j.str.2016.02.017. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/42h5d920

Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent\ud an important source of information concerning drug-target interactions, providing atomic level insights\ud into the physical chemistry of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2fa7fc51624930579bc888e19578253
https://www.repository.cam.ac.uk/handle/1810/254110