Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
出版年份 2022 全文链接
标题
Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
作者
关键词
-
出版物
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Volume 244, Issue -, Pages 114803
出版商
Elsevier BV
发表日期
2022-10-03
DOI
10.1016/j.ejmech.2022.114803
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease
- (2022) Muya Xiong et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Atomistic-Level Description of the Covalent Inhibition of SARS-CoV-2 Papain-like Protease
- (2022) Cécilia Hognon et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19
- (2022) Yuto Unoh et al. JOURNAL OF MEDICINAL CHEMISTRY
- An orally available Mpro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron
- (2022) Bao-Xue Quan et al. Nature Microbiology
- Scutellaria baicalensis extract and baicalein inhibit replication of SARS-CoV-2 and its 3C-like protease in vitro
- (2021) Hongbo Liu et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- SARS-CoV-2 Mpro inhibitors with antiviral activity in a transgenic mouse model
- (2021) Jingxin Qiao et al. SCIENCE
- A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2
- (2021) Shiwei Wang et al. BRIEFINGS IN BIOINFORMATICS
- A novel framework integrating AI model and enzymological experiments promotes identification of SARS-CoV-2 3CL protease inhibitors and activity-based probe
- (2021) Fan Hu et al. BRIEFINGS IN BIOINFORMATICS
- 3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents
- (2021) Sho Konno et al. JOURNAL OF MEDICINAL CHEMISTRY
- SARS-CoV-2 variants, spike mutations and immune escape
- (2021) William T. Harvey et al. NATURE REVIEWS MICROBIOLOGY
- Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2
- (2021) Nir Drayman et al. SCIENCE
- Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
- (2021) Haixia Su et al. Nature Communications
- Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L
- (2021) Anneliese S. Ashhurst et al. JOURNAL OF MEDICINAL CHEMISTRY
- Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity
- (2021) Chunlong Ma et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Haste makes waste: A critical review of docking‐based virtual screening in drug repurposing for SARS‐CoV‐2 main protease (M‐pro) inhibition
- (2021) Guillem Macip et al. MEDICINAL RESEARCH REVIEWS
- An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19
- (2021) Dafydd R. Owen et al. SCIENCE
- A new coronavirus associated with human respiratory disease in China
- (2020) Fan Wu et al. NATURE
- Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
- (2020) Canrong Wu et al. Acta Pharmaceutica Sinica B
- Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
- (2020) Zhenming Jin et al. NATURE
- Remdesivir for the Treatment of Covid-19 — Preliminary Report
- (2020) John H. Beigel et al. NEW ENGLAND JOURNAL OF MEDICINE
- Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
- (2020) Wenhao Dai et al. SCIENCE
- Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients
- (2020) Hai-xia Su et al. ACTA PHARMACOLOGICA SINICA
- Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease
- (2020) Chunlong Ma et al. CELL RESEARCH
- The Development of Coronavirus 3C-Like Protease (3CLpro) Inhibitors from 2010 to 2020
- (2020) Yuzhi Liu et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- The SARS-CoV-2 main protease as drug target
- (2020) Sven Ullrich et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
- (2020) Robert L. Hoffman et al. JOURNAL OF MEDICINAL CHEMISTRY
- High-Throughput Screening for Inhibitors of the SARS-CoV-2 Protease Using a FRET-Biosensor
- (2020) Alistair S. Brown et al. MOLECULES
- Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
- (2020) Wayne Vuong et al. Nature Communications
- Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design
- (2020) Wioletta Rut et al. Science Advances
- Ligand-based approach for predicting drug targets and for virtual screening against COVID-19
- (2020) Yanqing Yang et al. BRIEFINGS IN BIOINFORMATICS
- Analyzing Learned Molecular Representations for Property Prediction
- (2019) Kevin Yang et al. Journal of Chemical Information and Modeling
- Discovery of N-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C
- (2019) Youngsook Shin et al. ACS Medicinal Chemistry Letters
- The Cysteinome of Protein Kinases as a Target in Drug Development
- (2018) Apirat Chaikuad et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- A road map for prioritizing warheads for cysteine targeting covalent inhibitors
- (2018) Péter Ábrányi-Balogh et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Covalent inhibitors design and discovery
- (2017) Stephane De Cesco et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Chalcones isolated fromAngelica keiskeiinhibit cysteine proteases of SARS-CoV
- (2015) Ji-Young Park et al. JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
- From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design
- (2014) Rolf Hilgenfeld FEBS Journal
- Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and Scoring
- (2014) Kai Zhu et al. Journal of Chemical Information and Modeling
- Synthesis and investigation of dihydroxychalcones as calpain and cathepsin inhibitors
- (2013) Kyung Hye Baek et al. BIOORGANIC CHEMISTRY
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors
- (2011) Kenichi Akaji et al. JOURNAL OF MEDICINAL CHEMISTRY
- Maturation Mechanism of Severe Acute Respiratory Syndrome (SARS) Coronavirus 3C-like Proteinase
- (2010) Chunmei Li et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst
- (2010) I-Jen Chen et al. Journal of Chemical Information and Modeling
- Individual and common inhibitors of coronavirus and picornavirus main proteases
- (2009) Chih-Jung Kuo et al. FEBS LETTERS
- Aryl methylene ketones and fluorinated methylene ketones as reversible inhibitors for severe acute respiratory syndrome (SARS) 3C-like proteinase
- (2008) Jianmin Zhang et al. BIOORGANIC CHEMISTRY
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