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1. chinaXiv:202002.00071 [pdf]

Potential treatment of Chinese and Western Medicine targeting nsp14 of 2019 nCov

Liu Chao ; Zhu Xiaoxiao ; Lu Yiyao ; Jia Xu ; Yang Tai
Subjects: Medicine, Pharmacy >> Pharmacology

2019年12月,自武汉开始我国爆发严重的新型冠状病毒(2019-nCoV)感染疫情,急需开发2019-nCoV治疗药物。冠状病毒非结构蛋白 (Nonstructural protein, NSP) 在病毒基因组复制以及转录过程中起重要作用,在冠状病毒家族中普遍保守,是冠状病毒重要功能蛋白。其中,NSP14蛋白兼具核酸外切酶和甲基转移酶功能,是抗SARS和其他冠状病毒药物研究的重要靶点。序列分析表明, SARS coronavirus (PDB ID: 5nfy) 与武汉华南海鲜批发市场新型冠状病毒分离毒株 (GenBank: MN985325.1)氨基酸序列同源性为98.7%。本研究通过已发表的SARS-NSP14晶体结构 (PDB ID: 5nfy) 进行同源建模,构建2019-nCoV-NSP14的蛋白三维结构模型,对其N端-甲基转移酶以及C端-甲基转移酶结构功能域分别进行虚拟筛选,筛选出了18个对NSP14有抑制活性的化合物。其中沙奎那韦 (Saquinavir)、溴隐亭 (Bromocriptine)、黄芩苷 (Baicalein) 以及金丝桃素 (Hypericin) 能同时作用于NSP14蛋白上述两个重要功能域。该结果提示已知抗HIV药物-Saquinavir以及中药抗病毒重要活性成分-黄芩苷以及金丝桃素,可能以2019-nCoV-NSP14蛋白为靶标,发挥抗病毒效应,可作为抗2019-nCov候选药物进行下一步研究。

submitted time 2020-02-27 Hits8201Downloads509 Comment 0

2. chinaXiv:202002.00062 [pdf]

Furin, a potential therapeutic target for COVID-19

Hua Li; Canrong Wu; Yueying Yang; Yang Liu; Peng Zhang; Yali Wang; Qiqi Wang; Yang Xu; Mingxue Li; Mengzhu Zheng; Lixia Chen
Subjects: Medicine, Pharmacy >> Pharmacology

A novel coronavirus (SARS-CoV-2) infectious disease has broken out in Wuhan, Hubei Province since December 2019, and spread rapidly from Wuhan to other areas, which has been listed as an international concerning public health emergency. We compared the Spike proteins from four sources, SARS-CoV-2, SARS-CoV, MERS-CoV and Bat-CoVRaTG13, and found that the SARS-CoV-2 virus sequence had redundant PRRA sequences. Through a series of analyses, we propose the reason why SARS-CoV-2is more infectious than other coronaviruses. And through structure based virtual ligand screening, we foundpotentialfurin inhibitors, which might be used in the treatment of new coronary pneumonia.

submitted time 2020-02-23 Hits79002Downloads8880 Comment 0

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