Novel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2
Wang,Yi-Ting; Long,Xin-Yan; Ding,Xiao; Fan,Shi-Rui; Cai,Jie-Yun; Yang,Bi-Juan; Zhang,Xin-Fang; Luo,Rong-hua; Yang,Lian; Ruan,Ting; Ren,Juan; Jing,Chen-Xu; Zheng,Yong-Tang; Hao,Xiao-Jiang; Chen,Duo-Zhi
AbstractThe COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is unprecedented in human history. As a major structural protein, nucleocapsid protein (NPro) is critical to the replication of SARS-CoV-2. In this work, 17 NPro-targeting phenanthridine derivatives were rationally designed and synthesized, based on the crystal structure of NPro. Most of these compounds can interact with SARS-CoV-2 NPro tightly and inhibit the replication of SARS-CoV-2 in vitro. Compounds 12 and 16 exhibited the most potent anti-viral activities with 50% effective concentration values of 3.69 and 2.18 mu M, respectively. Furthermore, site-directed mutagenesis of NPro and Surface Plasmon Resonance (SPR) assays revealed that 12 and 16 target N-terminal domain (NTD) of NPro by binding to Tyr109. This work found two potent anti-SARS-CoV-2 bioactive compounds and also indicated that SARS-CoV-2 NPro-NTD can be a target for new anti-virus agents. (C) 2021 Elsevier Masson SAS. All rights reserved.
KeywordPhenanthridine Nucleocapsid protein SARS-CoV-2 N-terminal domain N-TERMINAL DOMAIN CORONAVIRUS
WOS IDWOS:000744228500007
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Document Type期刊论文
Affiliation1.[Wang, Yi-Ting
2.Ding, Xiao
3.Fan, Shi-Rui
4.Cai, Jie-Yun
5.Yang, Bi-Juan
6.Zhang, Xin-Fang
7.Yang, Lian
8.Ruan, Ting
9.Ren, Juan
10.Jing, Chen-Xu
11.Hao, Xiao-Jiang
12.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China
13.[Long, Xin-Yan
14.Luo, Rong-hua
15.Chinese Acad Sci, Key Lab Anim Models & Human Dis Mech, Key Lab Bioact Peptides Yunnan Prov, Kunming Inst Zool, Kunming 650223, Yunnan, Peoples R China
16.Univ Chinese Acad Sci, Kunming Coll Life Sci, Kunming 650204, Yunnan, Peoples R China
17.[Zhang, Xin-Fang
18.Yunnan Univ, Dept Chem Sci & Engn, Kunming 650091, Yunnan, Peoples R China
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Wang,Yi-Ting,Long,Xin-Yan,Ding,Xiao,et al. Novel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2[J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,2022,227:113966.
APA Wang,Yi-Ting.,Long,Xin-Yan.,Ding,Xiao.,Fan,Shi-Rui.,Cai,Jie-Yun.,...&Chen,Duo-Zhi.(2022).Novel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,227,113966.
MLA Wang,Yi-Ting,et al."Novel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2".EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 227(2022):113966.
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