AIMC Topic: COVID-19 Drug Treatment
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Screening Anti-inflammatory, Anticoagulant, and Respiratory Agents for SARS-CoV-2 3CL Inhibition from Chemical Fingerprints Through a Deep Learning Approach.
Revista de investigacion clinica; organo del Hospital de Enfermedades de la Nutricion
Jan 3, 2022
BACKGROUND: Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the etiologic agent of coronavirus disease 2019 (COVID-19), triggers a pathophysiological process linked not only to viral mechanisms of infectivity, but also to the pattern of...
Drug repurposing for COVID-19 using graph neural network and harmonizing multiple evidence.
Scientific reports
Nov 30, 2021
Since the 2019 novel coronavirus disease (COVID-19) outbreak in 2019 and the pandemic continues for more than one year, a vast amount of drug research has been conducted and few of them got FDA approval. Our objective is to prioritize repurposable dr...
Artificial intelligence for the discovery of novel antimicrobial agents for emerging infectious diseases.
Drug discovery today
Nov 5, 2021
The search for effective drugs to treat new and existing diseases is a laborious one requiring a large investment of capital, resources, and time. The coronavirus 2019 (COVID-19) pandemic has been a painful reminder of the lack of development of new ...
New Insights Into Drug Repurposing for COVID-19 Using Deep Learning.
IEEE transactions on neural networks and learning systems
Oct 27, 2021
The coronavirus disease 2019 (COVID-19) has continued to spread worldwide since late 2019. To expedite the process of providing treatment to those who have contracted the disease and to ensure the accessibility of effective drugs, numerous strategies...
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries.
Molecular diversity
Oct 23, 2021
The global spread of COVID-19 has raised the importance of pharmaceutical drug development as intractable and hot research. Developing new drug molecules to overcome any disease is a costly and lengthy process, but the process continues uninterrupted...
Computational investigation of drug bank compounds against 3C-like protease (3CL) of SARS-CoV-2 using deep learning and molecular dynamics simulation.
Molecular diversity
Oct 12, 2021
Blocking the main replicating enzyme, 3 Chymotrypsin-like protease (3CL) is the most promising drug development strategy against the SARS-CoV-2 virus, responsible for the current COVID-19 pandemic. In the present work, 9101 drugs obtained from the dr...
LUNAR :Drug Screening for Novel Coronavirus Based on Representation Learning Graph Convolutional Network.
IEEE/ACM transactions on computational biology and bioinformatics
Aug 6, 2021
An outbreak of COVID-19 that began in late 2019 was caused by a novel coronavirus(SARS-CoV-2). It has become a global pandemic. As of June 9, 2020, it has infected nearly 7 million people and killed more than 400,000, but there is no specific drug. T...
Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors.
International journal of molecular sciences
Jul 19, 2021
In the last year, the COVID-19 pandemic has highly affected the lifestyle of the world population, encouraging the scientific community towards a great effort on studying the infection molecular mechanisms. Several vaccine formulations are nowadays a...
Drug Evaluation, Preclinical
Humans
Viral Nonstructural Proteins
Supervised Machine Learning
Coronavirus Protease Inhibitors
Pandemics
SARS-CoV-2
Small Molecule Libraries
Viral Proteases
Molecular Docking Simulation
COVID-19
Databases, Pharmaceutical
COVID-19 Drug Treatment
Antiviral Agents
Support Vector Machine
Molecular Dynamics Simulation
Recent advances in drug repurposing using machine learning.
Current opinion in chemical biology
Jul 16, 2021
Drug repurposing aims to find new uses for already existing and approved drugs. We now provide a brief overview of recent developments in drug repurposing using machine learning alongside other computational approaches for comparison. We also highlig...
AI-based language models powering drug discovery and development.
Drug discovery today
Jun 30, 2021
The discovery and development of new medicines is expensive, time-consuming, and often inefficient, with many failures along the way. Powered by artificial intelligence (AI), language models (LMs) have changed the landscape of natural language proces...
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