Recent Advances and Prospects of Computer- Enhanced Drug Design and Development

Le résumé fourni par la source

Computer-enhanced drug design and development has revolutionized the pharmaceutical industries significantly, owing to its prediction efficiency, accuracy, and contribution to reducing the expenditure involved in drug design and development. Recently, computer-enhanced drug design and development have been bolstered by technologies like molecular modeling and high-throughput virtual screening tools, machine learning, and deep learning. These advancements foster rapid identification and optimization of new chemical entities and active pharmaceutical ingredients and more precise prediction of drug-target interactions, as well as their pharmacokinetic and pharmacodynamic properties. Structure- and ligand-based drug design is instrumental in the early stage of drug design and development over the conventional experimental method laden with several setbacks. Similarly, the integration of artificial intelligence platforms and multilevel omics data in drug design and development enables big data analysis pivotal for timely identification of patterns, prediction of drug properties and toxicity profiles, and responses to diseases. It is hoped that the emergence of these technologies will be pivotal in enhancing the design and delivery of more potent therapeutics. Therefore, this chapter presents recent progress in computer-enhanced drug design and development, associated challenges, and the prospects of the technologies in transforming drug design and development pipelines toward accelerated delivery of more efficient and safer medications commercially.

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