Identification of natural compounds as SARS-CoV-2 entry inhibitors by molecular docking-based virtual screening with bio-layer interferometry.
Dingqi Zhang,Sami Hamdoun,Ruihong Chen,Li Jun Yang,Chi Kio Ip,Yuan-Qing Qu,Run-Feng Li,Haiming Jiang,Zifeng Yang,Sookja Kim Chung,Liang Liu,Vincent Kam Wai Wong +11 more
TLDR
In this paper, the identification of natural compounds as potential SARS-CoV-2 entry inhibitors using the molecular docking-based virtual screening coupled with bilayer interferometry (BLI) was reported.About:
This article is published in Pharmacological Research.The article was published on 2021-08-14 and is currently open access. It has received 27 citations till now.read more
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Ginsenosides are active ingredients in Panax ginseng with immunomodulatory properties from cellular to organismal levels
TL;DR: In this paper , the authors mainly focus on the immunostimulatory and immunosuppressive roles of two types ginsenosides: the protopanaxadiol (PPD)-type and protopaneatriol (PPT)-type.
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Oridonin Inhibits SARS‐CoV‐2 by Targeting Its 3C‐Like Protease
Baisen Zhong,Weiyu Peng,Shan Du,Bingyi Chen,Yajuan Feng,Xinfeng Hu,Qingying Lai,Shujie Liu,Zhong-Wei Zhou,Pengfei Wang,Yan Liang Xueqiong Wu,Feng Gao,Huihao Zhou,Litao Sun +13 more
TL;DR: It is identified that Oridonin binds at the 3CLpro catalytic site by forming a CS covalent bond, which is confirmed by mass spectrometry and kinetic study, blocking substrate binding through a nonpeptidomimetic covalents binding mode.
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A Drug Repurposing Approach for Antimalarials Interfering with SARS-CoV-2 Spike Protein Receptor Binding Domain (RBD) and Human Angiotensin-Converting Enzyme 2 (ACE2).
Paolo Coghi,Li Jun Yang,Jerome P.L. Ng,Richard K. Haynes,Maurizio Memo,Alessandra Gianoncelli,Vincent Kam Wai Wong,Giovanni Ribaudo +7 more
TL;DR: In this article, computational and experimental techniques were combined to screen antimalarial compounds from different chemical classes, with the aim of identifying small molecules interfering with the RBD-ACE2 interaction and, consequently, with cell invasion.
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Possibility as role of ginseng and ginsenosides on inhibiting the heart disease of COVID-19: A systematic review
TL;DR: In this paper , the authors presented mechanisms related to the inhibition of heart disease in ginseng and ginsenoside against SARS-CoV-2 against COVID-19.
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Inhibitory effects of specific combination of natural compounds against SARS-CoV-2 and its Alpha, Beta, Gamma, Delta, Kappa, and Mu variants
E. Scott Paxton,Mai Badreldin Helal,Karakhanova Lobarkhon Musakhanovna,Baptista, Joao,Doris Maass +4 more
TL;DR: In this article , the authors evaluated the efficacy of a defined mixture of plant extracts and micronutrients against original SARS-CoV-2 and its Alpha, Beta, Gamma, Delta, Kappa, and Mu variants.
References
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WHO Declares COVID-19 a Pandemic.
TL;DR: The Director-General of the World Health Organization, Dr. Tedros Adhanom Ghebreyesus, noted that over the past 2 weeks, the number of cases outside China increased 13-fold and theNumber of countries with cases increased threefold, and further increases are expected.
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Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
TL;DR: Cryo–electron microscopy structures of full-length human ACE2 in the presence of the neutral amino acid transporter B0AT1 with or without the receptor binding domain (RBD) of the surface spike glycoprotein of SARS-CoV-2 are presented, providing important insights into the molecular basis for coronavirus recognition and infection.
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Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2.
Qihui Wang,Yanfang Zhang,Lili Wu,Sheng Niu,Sheng Niu,Chunli Song,Chunli Song,Zengyuan Zhang,Guangwen Lu,Chengpeng Qiao,Yu Hu,Yu Hu,Kwok-Yung Yuen,Qisheng Wang,Huan Zhou,Jinghua Yan,Jianxun Qi +16 more
TL;DR: The crystal structure of the C-terminal domain of SARS-CoV-2 (SARS- coV- 2-CTD) spike (S) protein in complex with human ACE2 (hACE2) is presented, which reveals a hACE2-binding mode similar overall to that observed for SARS -CoV.
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Structure, Function, and Evolution of Coronavirus Spike Proteins.
TL;DR: This article reviews current knowledge about the structures and functions of coronavirus spike proteins, illustrating how the two S1 domains recognize different receptors and how the spike proteins are regulated to undergo conformational transitions.
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Molecular docking: a powerful approach for structure-based drug discovery.
TL;DR: This review presents a brief introduction of the available molecular docking methods, and their development and applications in drug discovery, and a recently developed local move Monte Carlo based approach is introduced.