Predicting commercially available antiviral drugs that may act on the novel coronavirus (SARS-CoV-2) through a drug-target interaction deep learning model
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TLDR
The result showed that atazanavir, an antiretroviral medication used to treat and prevent the human immunodeficiency virus (HIV), is the best chemical compound, showing an inhibitory potency with Kd of 94.94 nM against the SARS-CoV-2 3C-like proteinase.Abstract:
The infection of a novel coronavirus found in Wuhan of China (SARS-CoV-2) is rapidly spreading, and the incidence rate is increasing worldwide. Due to the lack of effective treatment options for SARS-CoV-2, various strategies are being tested in China, including drug repurposing. In this study, we used our pre-trained deep learning-based drug-target interaction model called Molecule Transformer-Drug Target Interaction (MT-DTI) to identify commercially available drugs that could act on viral proteins of SARS-CoV-2. The result showed that atazanavir, an antiretroviral medication used to treat and prevent the human immunodeficiency virus (HIV), is the best chemical compound, showing an inhibitory potency with Kd of 94.94 nM against the SARS-CoV-2 3C-like proteinase, followed by remdesivir (113.13 nM), efavirenz (199.17 nM), ritonavir (204.05 nM), and dolutegravir (336.91 nM). Interestingly, lopinavir, ritonavir, and darunavir are all designed to target viral proteinases. However, in our prediction, they may also bind to the replication complex components of SARS-CoV-2 with an inhibitory potency with Kdread more
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Molecular epidemiology of SARS CoV-2: a review of current data on genetic variability of the virus.
TL;DR: This review aims to provide concise data on the SARS CoV-2 genomics, molecular evolution and variability with special consideration of the disease course, and investigates differences in mortality between south-European and north-European countries.
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Lopinavir/Ritonavir and Darunavir/Cobicistat in Hospitalized COVID-19 Patients: Findings From the Multicenter Italian CORIST Study
Augusto Di Castelnuovo,Simona Costanzo,Andrea Antinori,Nausicaa Berselli,Lorenzo Blandi,Marialaura Bonaccio,Raffaele Bruno,Roberto Cauda,Alessandro Gialluisi,Giovanni Guaraldi,Lorenzo Menicanti,Marco G. Mennuni,Ilaria My,Agostino Parruti,Giuseppe Patti,Stefano Perlini,Francesca Santilli,Carlo Signorelli,Giulio G. Stefanini,Alessandra Vergori,Walter Ageno,Luca Aiello,Piergiuseppe Agostoni,Samir Al Moghazi,Rosa Arboretti,Filippo Aucella,Greta Barbieri,Martina Barchitta,Alessandro Bartoloni,Carolina Bologna,Paolo Bonfanti,Lucia Caiano,Laura Carrozzi,Antonio Cascio,Giacomo Castiglione,Mauro Chiarito,Arturo Ciccullo,Antonella Cingolani,Francesco Cipollone,Claudia Colomba,Crizia Colombo,Francesco Crosta,Giovanni Dalena,Chiara Dal Pra,Gian Battista Danzi,Damiano D'Ardes,Katleen de Gaetano Donati,Francesco Di Gennaro,Giuseppe Di Tano,Gianpiero D'Offizi,Tommaso Filippini,Francesco Maria Fusco,Carlo Gaudiosi,Ivan Gentile,Giancarlo Gini,Elvira Grandone,Gabriella Guarnieri,Gennaro L F Lamanna,Giovanni Larizza,Armando Leone,Veronica Lio,Angela Raffaella Losito,Gloria Maccagni,Stefano Maitan,Sandro Mancarella,Rosa Manuele,Massimo Mapelli,Riccardo Maragna,Lorenzo Marra,Giulio Maresca,Claudia Marotta,Franco Mastroianni,Maria Mazzitelli,Alessandro Mengozzi,Francesco Menichetti,Jovana Milic,Filippo Minutolo,Beatrice Molena,Roberta Mussinelli,Cristina Mussini,Maria Musso,Anna Odone,Marco Olivieri,Emanuela Pasi,Annalisa Perroni,Francesco Petri,Biagio Pinchera,Carlo Andrea Pivato,Venerino Poletti,Claudia Ravaglia,Marco Rossato,Marianna Rossi,Anna Sabena,Francesco Salinaro,Vincenzo Sangiovanni,Carlo Sanrocco,Laura Scorzolini,Raffaella Sgariglia,Paola Simeone,Michele Spinicci,Enrico Maria Trecarichi,Giovanni Veronesi,Roberto Vettor,Andrea Vianello,Marco Vinceti,Marco Vinceti,Elena Visconti,Laura Vocciante,Raffaele De Caterina,Licia Iacoviello,Covid Risk +110 more
TL;DR: In this article, the authors describe the association between lopinavir/ritonavir (LPV/r) or darunavir/cobicistat (DRV/c) use and in-hospital mortality in COVID-19 patients.
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Spatial and Temporal Spread of the COVID-19 Pandemic Using Self Organizing Neural Networks and a Fuzzy Fractal Approach
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TL;DR: A hybrid combination, using fuzzy rules, of both the self-organizing maps and the fuzzy fractal approach is proposed for efficient coronavirus disease 2019 (COVID-19) forecasting of the countries, and results show the ability of the proposed approach to first spatially cluster the countries and then to accurately predict in time the CO VID-19 data for different countries with a fuzzy fractals approach.
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Comprehensive Consensus Analysis of SARS-CoV-2 Drug Repurposing Campaigns.
TL;DR: A literature review of large-scale SARS-CoV-2 antiviral drug repurposing efforts is provided in this paper, highlighting a marked lack of consistent potency reporting.
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