AIMC Topic: Drug Repositioning
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Artificial intelligence, machine learning, and drug repurposing in cancer.
Expert opinion on drug discovery
Feb 12, 2021
: Drug repurposing provides a cost-effective strategy to re-use approved drugs for new medical indications. Several machine learning (ML) and artificial intelligence (AI) approaches have been developed for systematic identification of drug repurposin...
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
SARS-CoV-2
Databases, Pharmaceutical
Molecular Docking Simulation
Neural Networks, Computer
Drug Discovery
Machine Learning
Antiviral Agents
COVID-19
Humans
Spike Glycoprotein, Coronavirus
Algorithms
Drug Repositioning
Drug Evaluation, Preclinical
Applications of artificial intelligence in drug development using real-world data.
Drug discovery today
Dec 24, 2020
The US Food and Drug Administration (FDA) has been actively promoting the use of real-world data (RWD) in drug development. RWD can generate important real-world evidence reflecting the real-world clinical environment where the treatments are used. M...
DeepDILI: Deep Learning-Powered Drug-Induced Liver Injury Prediction Using Model-Level Representation.
Chemical research in toxicology
Dec 23, 2020
Drug-induced liver injury (DILI) is the most frequently reported single cause of safety-related withdrawal of marketed drugs. It is essential to identify drugs with DILI potential at the early stages of drug development. In this study, we describe a ...
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...
Artificial intelligence in the early stages of drug discovery.
Archives of biochemistry and biophysics
Dec 19, 2020
Although the use of computational methods within the pharmaceutical industry is well established, there is an urgent need for new approaches that can improve and optimize the pipeline of drug discovery and development. In spite of the fact that there...
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...
Target-Centered Drug Repurposing Predictions of Human Angiotensin-Converting Enzyme 2 (ACE2) and Transmembrane Protease Serine Subtype 2 (TMPRSS2) Interacting Approved Drugs for Coronavirus Disease 2019 (COVID-19) Treatment through a Drug-Target Interaction Deep Learning Model.
Viruses
Nov 18, 2020
Previously, our group predicted commercially available Food and Drug Administration (FDA) approved drugs that can inhibit each step of the replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) using a deep learning-based drug-ta...
Repurposing therapeutics for COVID-19: Rapid prediction of commercially available drugs through machine learning and docking.
PloS one
Nov 12, 2020
BACKGROUND: The outbreak of the novel coronavirus disease COVID-19, caused by the SARS-CoV-2 virus has spread rapidly around the globe during the past 3 months. As the virus infected cases and mortality rate of this disease is increasing exponentiall...
Matrix Factorization-based Technique for Drug Repurposing Predictions.
IEEE journal of biomedical and health informatics
Nov 4, 2020
Classical drug design methodologies are hugely costly and time-consuming, with approximately 85% of the new proposed molecules failing in the first three phases of the FDA drug approval process. Thus, strategies to find alternative indications for al...
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