1.Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Wen CUI ; Haojun HUANG ; Yinkai DUAN ; Zhi LUO ; Haofeng WANG ; Tenan ZHANG ; Henry C NGUYEN ; Wei SHEN ; Dan SU ; Xi LI ; Xiaoyun JI ; Haitao YANG ; Wei WANG
Protein & Cell 2023;14(6):469-472
2.Crystal structure of SARS-CoV-2 main protease in complex with protease inhibitor PF-07321332.
Yao ZHAO ; Chao FANG ; Qi ZHANG ; Ruxue ZHANG ; Xiangbo ZHAO ; Yinkai DUAN ; Haofeng WANG ; Yan ZHU ; Lu FENG ; Jinyi ZHAO ; Maolin SHAO ; Xiuna YANG ; Leike ZHANG ; Chao PENG ; Kailin YANG ; Dawei MA ; Zihe RAO ; Haitao YANG
Protein & Cell 2022;13(9):689-693
3.High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors.
Yao ZHAO ; Xiaoyu DU ; Yinkai DUAN ; Xiaoyan PAN ; Yifang SUN ; Tian YOU ; Lin HAN ; Zhenming JIN ; Weijuan SHANG ; Jing YU ; Hangtian GUO ; Qianying LIU ; Yan WU ; Chao PENG ; Jun WANG ; Chenghao ZHU ; Xiuna YANG ; Kailin YANG ; Ying LEI ; Luke W GUDDAT ; Wenqing XU ; Gengfu XIAO ; Lei SUN ; Leike ZHANG ; Zihe RAO ; Haitao YANG
Protein & Cell 2021;12(11):877-888
A new coronavirus (SARS-CoV-2) has been identified as the etiologic agent for the COVID-19 outbreak. Currently, effective treatment options remain very limited for this disease; therefore, there is an urgent need to identify new anti-COVID-19 agents. In this study, we screened over 6,000 compounds that included approved drugs, drug candidates in clinical trials, and pharmacologically active compounds to identify leads that target the SARS-CoV-2 papain-like protease (PLpro). Together with main protease (M
Antiviral Agents/therapeutic use*
;
Binding Sites
;
COVID-19/virology*
;
Coronavirus Papain-Like Proteases/metabolism*
;
Crystallography, X-Ray
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Drug Evaluation, Preclinical
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Drug Repositioning
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High-Throughput Screening Assays/methods*
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Humans
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Imidazoles/therapeutic use*
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Inhibitory Concentration 50
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Molecular Dynamics Simulation
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Mutagenesis, Site-Directed
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Naphthoquinones/therapeutic use*
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Protease Inhibitors/therapeutic use*
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Protein Structure, Tertiary
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Recombinant Proteins/isolation & purification*
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SARS-CoV-2/isolation & purification*
Result Analysis
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