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1.
EuropePMC; 2020.
Preprint in English | EuropePMC | ID: ppcovidwho-315360

ABSTRACT

The main protease (Mpro) is one of the best-characterized drug targets among coronaviruses. In the current study, we adopted a multiple cross-docking strategy against different crystal structures of SARS-CoV-2 Mpro to perform computer-based high-throughput virtual screening of possible inhibitors from a drug database using Autodock Vina and SeeSAR software, combined with our in-house automatic processing scripts. The KDs between screened candidates and Mpro were determined using Biacore. Seven drugs were found to fit the substrate-binding pocket of Mpro with a stable conformation, showing high KDs that ranged from 6.79E-7 M to 5.20E-5 M. Finally, mutagenesis studies confirmed that these drugs interact with Mpro specifically, suggesting that our method was reliable and convincing. Given the safety of these old drugs, they may serve as promising candidates to treat the infection of SARS-CoV-2. Our results also provide rational explanations for the behaviour of five drugs evaluated in clinical trials.

3.
Sci Rep ; 11(1): 4145, 2021 02 18.
Article in English | MEDLINE | ID: covidwho-1091456

ABSTRACT

The pandemic of Coronavirus Disease 2019 (COVID-19) is causing enormous loss of life globally. Prompt case identification is critical. The reference method is the real-time reverse transcription PCR (RT-PCR) assay, whose limitations may curb its prompt large-scale application. COVID-19 manifests with chest computed tomography (CT) abnormalities, some even before the onset of symptoms. We tested the hypothesis that the application of deep learning (DL) to 3D CT images could help identify COVID-19 infections. Using data from 920 COVID-19 and 1,073 non-COVID-19 pneumonia patients, we developed a modified DenseNet-264 model, COVIDNet, to classify CT images to either class. When tested on an independent set of 233 COVID-19 and 289 non-COVID-19 pneumonia patients, COVIDNet achieved an accuracy rate of 94.3% and an area under the curve of 0.98. As of March 23, 2020, the COVIDNet system had been used 11,966 times with a sensitivity of 91.12% and a specificity of 88.50% in six hospitals with PCR confirmation. Application of DL to CT images may improve both efficiency and capacity of case detection and long-term surveillance.


Subject(s)
COVID-19/diagnostic imaging , COVID-19/diagnosis , Tomography, X-Ray Computed/methods , COVID-19/epidemiology , COVID-19/metabolism , China/epidemiology , Data Accuracy , Deep Learning , Humans , Lung/pathology , Pneumonia/diagnostic imaging , Retrospective Studies , SARS-CoV-2/isolation & purification , Sensitivity and Specificity
4.
SciFinder; 2020.
Preprint | SciFinder | ID: ppcovidwho-4387

ABSTRACT

A review. From Dec. 2019, the outbreak of a novel coronavirus SARS-CoV-2 hit Hubei Province of China. It causes severe acute respiratory syndrome in some patients and notable number of cases died of multiple organ failures. The disease was named by World Health Organization as 2019 novel coronavirus disease (COVID-19) on Feburary 11, 2020. The novel coronavirus is mainly spread by respiratory droplets and close contact. It is highly infectious and has been found in many countries and regions around the world. So far, no specific vaccine and specific drugs against SARS-CoV-2 have been developed for clin. use. This article reviews the virol. characteristics, clin. symptoms, infection mechanism, epidemiol., research progress and clin. effect of COVID-19. It could provide new insights for clin. prevention of COVID-19.

6.
Med. J. Chin. Peoples Liberation Army ; 3(45): 260-264, 2020.
Article in Chinese | WHO COVID, ELSEVIER | ID: covidwho-378729

ABSTRACT

From December 2019, the outbreak of corona virus disease 2019 (COVID-19) hits Hubei Province of China. It causes severe acute respiratory syndrome in some patients and notable number of cases died of multiple organ failures. SARS-CoV-2 mainly spread by respiratory droplets and close contact. It is highly infectious and has been found in many countries and regions around the world. So far, no specific vaccine and specific drugs against SARS-CoV-2 have been developed for clinical use. This article reviews the virological characteristics, clinical symptoms, infection mechanism, epidemiology, research progress and clinical effect of COVID-19. It could provide new insights for clinical prevention of COVID-19.

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