Remapping the Chemical Space and the Pharmacological Space of Drugs: What Can We Expect from the Road Ahead?

This work examines the current landscape of drug discovery and development, with a particular focus on the chemical and pharmacological spaces. It emphasizes the importance of understanding these spaces to anticipate future trends in drug discovery. The use of cheminformatics and data analysis enabl...

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Bibliographic Details
Published in:Pharmaceuticals (Basel, Switzerland) Switzerland), 2024-06, Vol.17 (6), p.742
Main Authors: Franco, Lucas Silva, de Jesus, Bárbara da Silva Mascarenhas, Pinheiro, Pedro de Sena Murteira, Fraga, Carlos Alberto Manssour
Format: Article
Language:English
Subjects:
chemical space
Chemistry
Clinical trials
computational techniques
Datasets
drug data analysis
drug discovery
Drugs
Genomes
network pharmacology
Pharmaceutical industry
Pharmaceutical sciences
pharmacological space
Proteins
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Summary:This work examines the current landscape of drug discovery and development, with a particular focus on the chemical and pharmacological spaces. It emphasizes the importance of understanding these spaces to anticipate future trends in drug discovery. The use of cheminformatics and data analysis enabled in silico exploration of these spaces, allowing a perspective of drugs, approved drugs after 2020, and clinical candidates, which were extracted from the newly released ChEMBL34 (March 2024). This perspective on chemical and pharmacological spaces enables the identification of trends and areas to be occupied, thereby creating opportunities for more effective and targeted drug discovery and development strategies in the future.
ISSN:1424-8247
1424-8247
DOI:10.3390/ph17060742