Artificial Intelligence Technologies for COVID-19 De Novo Drug Design

The recent covid crisis has provided important lessons for academia and industry regarding digital reorganization. Among the fascinating lessons from these times is the huge potential of data analytics and artificial intelligence. The crisis exponentially accelerated the adoption of analytics and ar...

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Bibliographic Details
Published in:International journal of molecular sciences 2022-03, Vol.23 (6), p.3261
Main Authors: Floresta, Giuseppe, Zagni, Chiara, Gentile, Davide, Patamia, Vincenzo, Rescifina, Antonio
Format: Article
Language:English
Subjects:
Algorithms
Antiviral Agents - chemistry
Antiviral Agents - pharmacology
Antiviral Agents - therapeutic use
Artificial Intelligence
Binding sites
Computational chemistry
Computer applications
Computers
Coronaviruses
COVID-19
COVID-19 - virology
COVID-19 Drug Treatment
COVID-19 vaccines
Deep learning
Drug Design
Drug development
Drug Discovery - methods
Drug Evaluation, Preclinical
Drugs
High-Throughput Nucleotide Sequencing
Humans
Ligands
Machine learning
Neural networks
New technology
Pandemics
Pharmaceuticals
Proteins
R&D
Research & development
Review
SARS-CoV-2 - drug effects
SARS-CoV-2 - physiology
Severe acute respiratory syndrome coronavirus 2
Small Molecule Libraries
Software
Structure-Activity Relationship
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Summary:The recent covid crisis has provided important lessons for academia and industry regarding digital reorganization. Among the fascinating lessons from these times is the huge potential of data analytics and artificial intelligence. The crisis exponentially accelerated the adoption of analytics and artificial intelligence, and this momentum is predicted to continue into the 2020s and beyond. Drug development is a costly and time-consuming business, and only a minority of approved drugs generate returns exceeding the research and development costs. As a result, there is a huge drive to make drug discovery cheaper and faster. With modern algorithms and hardware, it is not too surprising that the new technologies of artificial intelligence and other computational simulation tools can help drug developers. In only two years of covid research, many novel molecules have been designed/identified using artificial intelligence methods with astonishing results in terms of time and effectiveness. This paper reviews the most significant research on artificial intelligence in de novo drug design for COVID-19 pharmaceutical research.
ISSN:1422-0067
1661-6596
1422-0067
DOI:10.3390/ijms23063261