D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19

Shi, Yawei; Zhang, Xinben; Mu, Kaijie; Cheng, Peng; Zhu, Zhiyuan; Wang, Xiaoyu; Yang, Yanqing; Xu, Zhijian; Zhu, Weiliang

doi:10.1016/j.apsb.2020.04.006

Cited by 85 publications

(128 citation statements)

References 31 publications

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“…A subset of COVID-19 patients reportedly develop vasculitic lesions [ 43 ], blood vessel occlusion and infarctions [ 81 , 82 , 83 , 84 ]. Indeed, also one of the here reported patients developed IgA vasculitis with renal involvement four weeks after PIMS-TS was diagnosed and treated (see also below).…”

Section: Resultsmentioning

confidence: 99%

Presentation, Treatment Response and Short-Term Outcomes in Paediatric Multisystem Inflammatory Syndrome Temporally Associated with SARS-CoV-2 (PIMS-TS)

Felsenstein

Willis

Lythgoe

et al. 2020

JCM

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The novel Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is the pathogen responsible for Coronavirus Disease 2019 (COVID-19). Whilst most children and young people develop mild symptoms, recent reports suggest a novel paediatric inflammatory multisystem syndrome temporally associated with SARS-CoV-2 (PIMS-TS). Case definition and classification are preliminary, treatment is empiric and disease-associated outcomes are unclear. Here, we report 29 patients with PIMS-TS who were diagnosed, admitted and treated in the English North West between March and June 2020. Consistent with patterns observed internationally, cases peaked approximately 4 weeks after the initial surge of COVID-19-like symptoms in the UK population. Clinical symptoms included fever (100%), skin rashes (72%), cardiovascular involvement (86%), conjunctivitis (62%) and respiratory involvement (21%). Some patients had clinical features partially resembling Kawasaki disease (KD), toxic shock syndrome and cytokine storm syndrome. Male gender (69%), black, Asian and other minority ethnicities (BAME, 59%) were over-represented. Immune modulating treatment was used in all, including intravenous immunoglobulin (IVIG), corticosteroids and cytokine blockers. Notably, 32% of patients treated with IVIG alone went into remission. The rest required additional treatment, usually corticosteroids, with the exception of two patients who were treated with TNF inhibition and IL-1 blockade, respectively. Another patient received IL-1 inhibition as primary therapy, with associated rapid and sustained remission. Randomized and prospective studies are needed to investigate efficacy and safety of treatment, especially as resources of IVIG may be depleted secondary to high demand during future waves of COVID-19.

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Section: Resultsmentioning

confidence: 99%

Presentation, Treatment Response and Short-Term Outcomes in Paediatric Multisystem Inflammatory Syndrome Temporally Associated with SARS-CoV-2 (PIMS-TS)

Felsenstein

Willis

Lythgoe

et al. 2020

JCM

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“…It results that deepDR revealed a high performance of 90.8% AUC, outperforming other CNN based and ML based approaches. Some of other deep learning-based approaches for Drug testing, repurposing and discovery for COVID-19 are DeepPurpose [34], kGCN [43], DeepChem [71], and D3Targets-2019-nCoV [83].…”

Section: Drug Developmentmentioning

confidence: 99%

Machine and Deep Learning Towards COVID-19 Diagnosis and Treatment: Survey, Challenges, and Future Directions

Alafif¹

2020

Preprint

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Machine Learning (ML) and Deep Learning (DL) have been widely used in our daily lives in a variety of ways with many effective stories. Also, they have been instrumental in tackling the Coronavirus (COVID-19) epidemic, which has been occurring around the world. The COVID-19 epidemic caused by the SARS-CoV-2 virus has spread rapidly around the world, leading to global outbreaks. Most governments, businesses, and scientific research institutions are taking part in the COVID-19 struggle to stem the spread of the disease. In this survey, we investigate the Artificial Intelligence (AI) based ML and DL towards COVID-19 diagnosis and treatment. In addition, we summarize the AI-based ML and DL methods and available datasets, resources, and results in the fight against COVID-19. This survey provides the ML and DL researchers and the wider health community a comprehensive overview of the current state-of-the-art methodologies and applications with details of how ML and DL and data can improve the status of COVID-19, and further studies to stop the COVID-19 outbreak. Challenges and future directions details are also provided.

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“…Therefore, potential chemotheraupetic agents are urgently needed to treat this disease 5 . However, there is much clinical research in China, but no drug has been approved for the treatment of COVID-19 6 .…”

Section: Introductionmentioning

confidence: 99%

In Silico Approach of Potential Phytochemical Inhibitor from Moringa oleifera, Cocos nucifera, Allium cepa, Psidium guajava, and Eucalyptus globulus for the treatment of COVID-19 by Molecular Docking

Fitriani

Utami²,

Zikri

et al. 2020

Preprint

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Background Coronavirus disease 2019 (COVID-19) is caused by infection with severe acute respiratory syndrome coronavirus 2. COVID-19 has devastating effects on people in all countries and getting worse. We aim to investigate an in-silico docking analysis of phytochemical compounds from medicinal plants that used to combat inhibition of the COVID-19 pathway. There are several phytochemicals in medicinal plants, however, the mechanism of bioactive compounds remains unclear. These results are obtained from in silico research provide further information to support the inhibition of several phytochemicals. Methods Molecular docking used to determine the best potential COVID-19 M pro inhibitor from several bioactive compounds in Moringa oleifera, Allium cepa, Cocos nucifera, Psidium guajava, and Eucalyptus globulus. Molecular docking was conducted and scored by comparison with standard drugs remdesivir. ADME properties of selected ligands were evaluated using the Lipinski Rule. The interaction mechanism of the most recommended compound predicted using the STITCH database. Results There was no recommended compound in Moringa oleifera as a potential inhibitor for COVID-19. Oleanolic acid in Allium cepa, α-tocotrienol in Cocos nucifera, asiatic acid in Psidium guajava and culinoside in Eucalyptus globulus were the most recommended compound in each medicinal plant. Oleanolic acid was reported to exhibit anti-COVID-19 activity with binding energy was − 9.20 kcal/mol. This score was better than remdesivir as standard drug. Oleanolic acid interacted through the hydrogen bond with HIS41, THR25, CYS44, GLU166. Oleanolic acid binding with CASP-3, CASP-9, and XIAP signaling pathway. Conclusions Oleanolic acid in Allium cepa found as a potential inhibitor of COVID-19 M-pro that should be examined in future studies. These results suggest that oleanolic acid may be useful in COVID-19 treatment.

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D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19

Cited by 85 publications

References 31 publications

Presentation, Treatment Response and Short-Term Outcomes in Paediatric Multisystem Inflammatory Syndrome Temporally Associated with SARS-CoV-2 (PIMS-TS)

Presentation, Treatment Response and Short-Term Outcomes in Paediatric Multisystem Inflammatory Syndrome Temporally Associated with SARS-CoV-2 (PIMS-TS)

Machine and Deep Learning Towards COVID-19 Diagnosis and Treatment: Survey, Challenges, and Future Directions

In Silico Approach of Potential Phytochemical Inhibitor from Moringa oleifera, Cocos nucifera, Allium cepa, Psidium guajava, and Eucalyptus globulus for the treatment of COVID-19 by Molecular Docking

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