典型文献
Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein
文献摘要：
An epidemic of pneumonia caused by severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)is spreading worldwide.SARS-CoV-2 relies on its spike protein to invade host cells by interacting with the human receptor protein Angiotensin-Converting Enzymes 2(ACE2).Therefore,designing an antibody or small-molecular entry blockers is of great significance for virus prevention and treatment.This study identified five potential small molecular anti-virus blockers via targeting SARS-CoV-2 spike protein by combining in silico technologies with in vitro experimental methods.The five molecules were natural products that binding to the RBD domain of SARS-CoV-2 was qualitatively and quantitively validated by both native Mass Spectrometry(MS)and Surface Plasmon Resonance(SPR).Anti-viral activity assays showed that the optimal molecule,H69C2,had a strong binding affinity(dissociation constant KD)of 0.0947 μM and anti-virus IC50 of 85.75 μM.
文献关键词：
中图分类号：
作者姓名：
Lin Wang;Yan Wu;Sheng Yao;Huan Ge;Ya Zhu;Kun Chen;Wen-zhang Chen;Yi Zhang;Wei Zhu;Hong-yang Wang;Yu Guo;Pei-xiang Ma;Peng-xuan Ren;Xiang-lei Zhang;Hui-qiong Li;Mohammad A.Ali;Wen-qing Xu;Hua-liang Jiang;Lei-ke Zhang;Li-li Zhu;Yang Ye;Wei-juan Shang;Fang Bai
作者机构：
Shanghai Institute for Advanced Immunochemical Studies,ShanghaiTech University,Shanghai 201210,China;School of Life Science and Technology,ShanghaiTech University,Shanghai 201210,China;State Key Laboratory of Virology,Wuhan Institute of Virology,Center for Biosafety Mega-Science,Chinese Academy of Sciences,Wuhan 430064,China;Department of Natural Products Chemistry,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Shanghai 201203,China;State Key Laboratory of Drug Research,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Shanghai 201203,China;State Key Laboratory of Bioreactor Engineering,Shanghai Key Laboratory of New Drug Design,School of Pharmacy,East China University of Science and Technology,Shanghai 200237,China;CAS Key Laboratory of Receptor Research,Shanghai Institute of Materia Medica,Chinese Academy of Sciences,Shanghai 201203,China;College of Pharmacy and State Key Laboratory of Medicinal Chemical Biology,Nankai University,Tianjin 300071,China;Department of Botany and Microbiology,College of Science,King Saud University,Riyadh,Saudi Arabia
文献出处：
引用格式：
[1]Lin Wang;Yan Wu;Sheng Yao;Huan Ge;Ya Zhu;Kun Chen;Wen-zhang Chen;Yi Zhang;Wei Zhu;Hong-yang Wang;Yu Guo;Pei-xiang Ma;Peng-xuan Ren;Xiang-lei Zhang;Hui-qiong Li;Mohammad A.Ali;Wen-qing Xu;Hua-liang Jiang;Lei-ke Zhang;Li-li Zhu;Yang Ye;Wei-juan Shang;Fang Bai-.Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein)[J].中国药理学报（英文版）,2022(04):788-796
A类：
H69C2
B类：
Discovery,potential,small,molecular,SARS,CoV,entry,blockers,targeting,spike,protein,epidemic,pneumonia,caused,by,severe,acute,respiratory,syndrome,coronavirus,spreading,worldwide,relies,its,invade,host,cells,interacting,human,receptor,Angiotensin,Converting,Enzymes,ACE2,Therefore,designing,antibody,great,significance,prevention,treatment,This,study,identified,five,via,combining,silico,technologies,vitro,experimental,methods,molecules,were,natural,products,that,binding,RBD,domain,was,qualitatively,quantitively,validated,both,native,Mass,Spectrometry,Surface,Plasmon,Resonance,SPR,Anti,viral,activity,assays,showed,optimal,had,strong,affinity,dissociation,constant,KD,IC50
AB值：
0.655829
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机标中图分类号，由域田数据科技根据网络公开资料自动分析生成，仅供学习研究参考。
