日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Discovery of AVI-6451, a Potent and Selective Inhibitor of the SARS-CoV-2 ADP-Ribosylhydrolase Mac1 with Oral Efficacy In Vivo

发现 AVI-6451,一种强效且选择性的 SARS-CoV-2 ADP-核糖水解酶 Mac1 抑制剂,具有体内口服疗效

Jaishankar, Priyadarshini; Correy, Galen J; Matsui, Yusuke; Togo, Takaya; Rachman, Moira M; Stevens, Maisie G V; Hantz, Eric R; Zheng, Jeffrey; Diolaiti, Morgan E; Montano, Mauricio; Taha, Taha Y; Rosecrans, Julia; Pampel, Julius; Krogan, Nevan J; Shoichet, Brian K; Ashworth, Alan; Ott, Melanie; Fraser, James S; Renslo, Adam R

Large Library Docking for Polypharmacology

用于多药理学的大型库对接

Wu, Yujin; Vigneron, Seth; Braz, Joao; Srinivasan, Karthik; Fink, Elissa A; Huang, Xi-Ping; Xu, Xinyu; Huebner, Harald; Kim, Joseph Y; Wang, Jing; Pfeiffer, Tara; Sakamoto, Kensuke; Radchenko, Dmytro S; Rodriguiz, Ramona M; Moroz, Yurii S; Irwin, John J; Gmeiner, Peter; Billesboelle, Christian; Roth, Bryan L; Basbaum, Allan I; Manglik, Aashish; Wetsel, William C; Shoichet, Brian K

Discovery of Coronavirus Main Protease Inhibitors with Enhanced Brain Exposure and Potent Oral Efficacy in SARS-CoV-2 and MERS Infection Models

在SARS-CoV-2和MERS感染模型中发现具有增强脑暴露和强效口服疗效的冠状病毒主要蛋白酶抑制剂

Lizzadro, Luca; Li, Jiapeng; Taha, Taha Y; Degotte, Gilles; Detomasi, Tyler C; Zapatero-Belinchon, Francisco J; Hantz, Eric R; Huang, Sijie; Matsui, Yusuke; Henderson, Will R; McCann, Jack T; Montano, Mauricio; Rosecrans, Julia; Torres Pomares, Daniel F; McGovern, Briana L; Diaz-Tapia, Randy; Benjamin, Jared; Gordon, Mary E; Suazo, Isidora D; Settineri, Nicholas S; Diallo, Amy; Krogan, Nevan J; Shoichet, Brian K; Verba, Kliment A; Albrecht, Randy; García-Sastre, Adolfo; White, Kris M; Ott, Melanie; Craik, Charles S; Renslo, Adam R

Drug-Induced Phospholipidosis as an Artifact in Antiviral Drug Repurposing

药物诱导的磷脂沉积症是抗病毒药物再利用中的一种假象

Glenn, Isabella S; Paris, Lu; White, Alex D; Garda, Virginia G; Montano, Mauricio; Khalid, Mir M; Kao, Aimee W; Ott, Melanie; Shoichet, Brian K

Epigenetic maintenance of the injury response state in glioblastoma stem cells

胶质母细胞瘤干细胞损伤反应状态的表观遗传维持

Molaei, Fatemeh; MacLeod, Graham; Haider, Shahan; Tiffany, Aleczandria; Oteng, Frank M; Berman, Jacob M; Skirzynska, Arianna; Shoichet, Molly S; Schramek, Daniel; Dirks, Peter B; Angers, Stephane

The selectivity implications of docking libraries with greater and lesser similarities to bio-like molecules

对接库与生物分子相似度高低的影响

Hall, Brendan W; Sakamoto, Kensuke; Huang, Xi-Ping; Irwin, John J; Shoichet, Brian K; Roth, Bryan L

Library docking for Cannabinoid-2 Receptor ligands

大麻素-2受体配体的库对接

Rachman, Moira M; Iliopoulos-Tsoutsouvas, Christos; Sacco, Michael D; Xu, Xinyu; Wu, Cheng-Guo; Santos, Emma; Glenn, Isabella S; Paris, Lu; Cahill, Michelle K; Ganapathy, Suthakar; Tummino, Tia A; Moroz, Yurii S; Radchenko, Dmytro S; Okorie, Meri; Tawfik, Vivianne; Irwin, John J; Makriyannis, Alexandros; Skiniotis, Georgios; Shoichet, Brian K

Colloid-Forming Prodrug-Hydrogel Composite Prolongs Lower Intraocular Pressure in Rodent Eyes after Subconjunctival Injection

胶体形成前药-水凝胶复合材料在结膜下注射后可延长啮齿动物眼内压降低的持续时间

Dang, Mickael; Slaughter, Kai V; Cui, Hong; Jiang, Christopher; Zhou, Lisa; Matthew, David J; Sivak, Jeremy M; Shoichet, Molly S

Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects.

针对副作用较小的 1 型大麻素受体激动剂的虚拟库对接

Tummino Tia A, Iliopoulos-Tsoutsouvas Christos, Braz Joao M, O'Brien Evan S, Stein Reed M, Craik Veronica, Tran Ngan K, Ganapathy Suthakar, Liu Fangyu, Shiimura Yuki, Tong Fei, Ho Thanh C, Radchenko Dmytro S, Moroz Yurii S, Rosado Sian Rodriguez, Bhardwaj Karnika, Benitez Jorge, Liu Yongfeng, Kandasamy Herthana, Normand Claire, Semache Meriem, Sabbagh Laurent, Glenn Isabella, Irwin John J, Kumar Kaavya Krishna, Makriyannis Alexandros, Basbaum Allan I, Shoichet Brian K

The impact of library size and scale of testing on virtual screening

库规模和测试规模对虚拟筛选的影响

Liu, Fangyu; Mailhot, Olivier; Glenn, Isabella S; Vigneron, Seth F; Bassim, Violla; Xu, Xinyu; Fonseca-Valencia, Karla; Smith, Matthew S; Radchenko, Dmytro S; Fraser, James S; Moroz, Yurii S; Irwin, John J; Shoichet, Brian K