2021
DOI: 10.1016/j.crphar.2021.100042
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Artificial intelligence-driven drug repurposing and structural biology for SARS-CoV-2

Abstract: It has been said that COVID-19 is a generational challenge in many ways. But, at the same time, it becomes a catalyst for collective action, innovation, and discovery. Realizing the full potential of artificial intelligence (AI) for structure determination of unknown proteins and drug discovery are some of these innovations. Potential applications of AI include predicting the structure of the infectious proteins, identifying drugs that may be effective in targeting these proteins, and proposing new chemical co… Show more

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Cited by 32 publications
(11 citation statements)
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References 79 publications
(94 reference statements)
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“…Dies könnte zur Identifizierung einer größeren Anzahl von potenziellen Zielproteinen beitragen. Solche Formen der Mustererkennung können auch dabei helfen, neue Anwendungen für bereits zugelassene Medikamente zu identifizieren [12].…”
Section: Künstliche Intelligenz Kann Das Klassische Strukturbasierte ...unclassified
“…Dies könnte zur Identifizierung einer größeren Anzahl von potenziellen Zielproteinen beitragen. Solche Formen der Mustererkennung können auch dabei helfen, neue Anwendungen für bereits zugelassene Medikamente zu identifizieren [12].…”
Section: Künstliche Intelligenz Kann Das Klassische Strukturbasierte ...unclassified
“…Because of the knowledge and understanding of an existing drug’s safety, mechanisms of action, and pharmacokinetics, drug repurposing reduces the risks associated with drug development, and has shown promising results for the discovery of the main protease inhibitors, 17–19 especially when combined with the power of artificial intelligence approaches. 20…”
Section: Introductionmentioning
confidence: 99%
“…Because of the knowledge and understanding of an existing drug's safety, mechanisms of action, and pharmacokinetics, drug repurposing reduces the risks associated with drug development, and has shown promising results for the discovery of the main protease inhibitors, [17][18][19] especially when combined with the power of artificial intelligence approaches. 20 Machine learning is the approach to learn from the provided data, identify the patterns within the provided data, and make predictions on new data using what it has learned. Machine learning methods have been widely used for toxicity prediction, novel drug discovery, and drug repurposing.…”
Section: Introductionmentioning
confidence: 99%
“…The majority of previous papers and studies have primarily concentrated on specific ethnobotanical drugs, such as traditional Chinese or Indian medicines [ 11 , 12 , 13 , 14 , 15 ], without regard to particular locations or ethnobotanical characteristics. In addition to core wet laboratory experiments, several modern computational methodologies have been adopted for screening and identifying natural compounds that may inhibit viral infection, and the utilization of these approaches to identify fast-acting and more potent vaccines and treatments, including drugs, for COVID-19, increased during the recent pandemic [ 16 , 17 , 18 ]. Many major scientific databases have been established to help researchers identify possible ethnomedicinal plants or herbs for use as antivirals, including for coronavirus treatments.…”
Section: Introductionmentioning
confidence: 99%