AIMC Topic: 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...
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...
COVID-19 Drug Treatment
Angiotensin-Converting Enzyme 2
Databases, Pharmaceutical
SARS-CoV-2
Molecular Docking Simulation
Neural Networks, Computer
Drug Discovery
Humans
Machine Learning
Antiviral Agents
COVID-19
Spike Glycoprotein, Coronavirus
Algorithms
Drug Repositioning
Drug Evaluation, Preclinical
Comparative Evaluation of the Treatment of COVID-19 with Multicriteria Decision-Making Techniques.
Journal of healthcare engineering
Jan 22, 2021
OBJECTIVES: The outbreak of coronavirus disease 2019 (COVID-19) was first reported in December 2019. Until now, many drugs and methods have been used in the treatment of the disease. However, no effective treatment option has been found and only case...
Prediction of adverse drug reactions using drug convolutional neural networks.
Journal of bioinformatics and computational biology
Jan 20, 2021
Prediction of Adverse Drug Reactions (ADRs) has been an important aspect of Pharmacovigilance because of its impact in the pharma industry. The standard process of introduction of a new drug into a market involves a lot of clinical trials and tests. ...
Simultaneous spectrophotometric quantitative analysis of velpatasvir and sofosbuvir in recently approved FDA pharmaceutical preparation using artificial neural networks and genetic algorithm artificial neural networks.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
Jan 15, 2021
Two chemometric assisted spectrophotometric models were applied for the quantitative analysis of velpatasvir and sofosbuvir in their newly FDA approved pharmaceutical dosage form. The UV absorption spectra of velpatasvir and sofosbuvir showed certain...
Fighting viruses with materials science: Prospects for antivirus surfaces, drug delivery systems and artificial intelligence.
Dental materials : official publication of the Academy of Dental Materials
Jan 10, 2021
OBJECTIVE: Viruses on environmental surfaces, in saliva and other body fluids represent risk of contamination for general population and healthcare professionals. The development of vaccines and medicines is costly and time consuming. Thus, the devel...
Repurposing potential of FDA-approved and investigational drugs for COVID-19 targeting SARS-CoV-2 spike and main protease and validation by machine learning algorithm.
Chemical biology & drug design
Dec 22, 2020
The present study aimed to assess the repurposing potential of existing antiviral drug candidates (FDA-approved and investigational) against SARS-CoV-2 target proteins that facilitates viral entry and replication into the host body. To evaluate molec...
Hepatitis C viral load and genotypes among Nigerian subjects with chronic infection and implication for patient management: a retrospective review of data.
The Pan African medical journal
Dec 10, 2020
INTRODUCTION: Hepatitis C Virus (HCV) is highly infectious with no currently available vaccine. Prior to treatment, it is recommended to confirm HCV infection with either quantitative or qualitative nucleic acid test. Access to these assays in Nigeri...
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis.
Scientific reports
Nov 23, 2020
COVID-19 caused by the SARS-CoV-2 is a current global challenge and urgent discovery of potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine protease (3CLpro) enzyme is the vital molecular target against the SAR...
Better understanding and prediction of antiviral peptides through primary and secondary structure feature importance.
Scientific reports
Nov 6, 2020
The emergence of viral epidemics throughout the world is of concern due to the scarcity of available effective antiviral therapeutics. The discovery of new antiviral therapies is imperative to address this challenge, and antiviral peptides (AVPs) rep...
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