AIMC Topic: Antiviral Agents

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Prediction of African Swine Fever Virus Inhibitors by Molecular Docking-Driven Machine Learning Models.

Molecules (Basel, Switzerland) Jun 11, 2021
African swine fever virus (ASFV) causes a highly contagious and severe hemorrhagic viral disease with high mortality in domestic pigs of all ages. Although the virus is harmless to humans, the ongoing ASFV epidemic could have severe economic conseque...
Machine Learning Animals Molecular Docking Simulation African Swine Fever Virus Amino Acid Sequence DNA-Directed DNA Polymerase Viral Proteins Pentagastrin Drug Design African Swine Fever Swine Antiviral Agents
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Active Learning and the Potential of Neural Networks Accelerate Molecular Screening for the Design of a New Molecule Effective against SARS-CoV-2.

BioMed research international May 25, 2021
A global pandemic has emerged following the appearance of the new severe acute respiratory virus whose official name is the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), strongly affecting the health sector as well as the world econom...
Gene Expression Kinetics COVID-19 Drug Treatment Protein Interaction Domains and Motifs Drug Design Humans Catalytic Domain Antiviral Agents Neural Networks, Computer Coronavirus 3C Proteases Protein Binding Substrate Specificity SARS-CoV-2 Biological Products Thermodynamics Molecular Docking Simulation Protease Inhibitors Small Molecule Libraries Protein Structure, Secondary
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Machine learning techniques applied to the drug design and discovery of new antivirals: a brief look over the past decade.

Expert opinion on drug discovery May 7, 2021
: Drug design and discovery of new antivirals will always be extremely important in medicinal chemistry, taking into account known and new viral diseases that are yet to come. Although machine learning (ML) have shown to improve predictions on the bi...
COVID-19 Drug Treatment Virus Diseases Drug Design Drug Discovery Antiviral Agents Drug Repositioning Humans Machine Learning Algorithms Animals
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COVID-19 in the Age of Artificial Intelligence: A Comprehensive Review.

Interdisciplinary sciences, computational life sciences Apr 22, 2021
The recent COVID-19 pandemic, which broke at the end of the year 2019 in Wuhan, China, has infected more than 98.52 million people by today (January 23, 2021) with over 2.11 million deaths across the globe. To combat the growing pandemic on urgent ba...
Humans Artificial Intelligence COVID-19 Diagnosis, Computer-Assisted Antiviral Agents COVID-19 Testing COVID-19 Drug Treatment Therapy, Computer-Assisted Computer-Aided Design Drug Design Drug Discovery Severity of Illness Index Decision Support Techniques Prognosis Clinical Decision-Making Biomedical Research
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Deep Transfer Learning Approach for Automatic Recognition of Drug Toxicity and Inhibition of SARS-CoV-2.

Viruses Apr 2, 2021
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) causes COVID-19 and is responsible for the ongoing pandemic. Screening of potential antiviral drugs against SARS-CoV-2 depend on in vitro experiments, which are based on the quantification ...
Deep Learning Viral Load Antiviral Agents Drug Evaluation, Preclinical Phosphoproteins Machine Learning COVID-19 SARS-CoV-2 Animals Adenosine Monophosphate Coronavirus Nucleocapsid Proteins Drug-Related Side Effects and Adverse Reactions Chlorocebus aethiops Vero Cells Alanine
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Machine Learning as a Precision-Medicine Approach to Prescribing COVID-19 Pharmacotherapy with Remdesivir or Corticosteroids.

Clinical therapeutics Mar 29, 2021
PURPOSE: Coronavirus disease-2019 (COVID-19) continues to be a global threat and remains a significant cause of hospitalizations. Recent clinical guidelines have supported the use of corticosteroids or remdesivir in the treatment of COVID-19. However...
Adolescent Antiviral Agents COVID-19 Drug Treatment Adrenal Cortex Hormones Alanine Adenosine Monophosphate Young Adult Adult Male Middle Aged Humans Machine Learning Female Aged Aged, 80 and over
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Identification of SARS-CoV-2 viral entry inhibitors using machine learning and cell-based pseudotyped particle assay.

Bioorganic & medicinal chemistry Mar 26, 2021
In response to the pandemic caused by SARS-CoV-2, we constructed a hybrid support vector machine (SVM) classification model using a set of publicly posted SARS-CoV-2 pseudotyped particle (PP) entry assay repurposing screen data to identify novel pote...
Humans SARS-CoV-2 Microbial Sensitivity Tests ROC Curve Antiviral Agents Area Under Curve Support Vector Machine HEK293 Cells Drug Repositioning Databases, Chemical Small Molecule Libraries Virus Internalization
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Host-dependent molecular factors mediating SARS-CoV-2 infection to gain clinical insights for developing effective targeted therapy.

Molecular genetics and genomics : MGG Mar 20, 2021
Coronavirus disease 2019 (COVID-19), a recent viral pandemic that first began in December 2019, in Hunan wildlife market, Wuhan, China. The infection is caused by a coronavirus, SARS-CoV-2 and clinically characterized by common symptoms including fev...
Humans COVID-19 Testing Molecular Diagnostic Techniques COVID-19 Drug Treatment Artificial Intelligence Mass Screening COVID-19 C-Reactive Protein Cytokines Eosinophils Interleukin-6 Biomarkers SARS-CoV-2 Lung Antiviral Agents
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Deep learning model for virtual screening of novel 3C-like protease enzyme inhibitors against SARS coronavirus diseases.

Computers in biology and medicine Mar 6, 2021
In the context of the recently emerging COVID-19 pandemic, we developed a deep learning model that can be used to predict the inhibitory activity of 3CLpro in severe acute respiratory syndrome coronavirus (SARS-CoV) for unknown compounds during the v...
COVID-19 SARS-CoV-2 Molecular Docking Simulation Deep Learning Antiviral Agents Bayes Theorem Protease Inhibitors Peptide Hydrolases Severe acute respiratory syndrome-related coronavirus Humans Pandemics
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Predicting Potential SARS-COV-2 Drugs-In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking.

International journal of molecular sciences Feb 4, 2021
Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A concerted effort from research labs around the world resulted in the identification of potential pharmaceutical treatments for CoVID-19 using existing drugs, as we...
Machine Learning COVID-19 Algorithms SARS-CoV-2 Molecular Docking Simulation Drug Evaluation, Preclinical Drug Discovery Humans COVID-19 Drug Treatment Antiviral Agents Neural Networks, Computer Angiotensin-Converting Enzyme 2 Spike Glycoprotein, Coronavirus Databases, Pharmaceutical Drug Repositioning
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