Computer-Aided Drug Design in Research on Chinese Materia Medica: Methods, Applications, Advantages, and Challenges DOI Creative Commons
Ban Chen, Shuangshuang Liu, Hu Xia

et al.

Pharmaceutics, Journal Year: 2025, Volume and Issue: 17(3), P. 315 - 315

Published: March 1, 2025

Chinese materia medica (CMM) refers to the medicinal substances used in traditional medicine. In recent years, CMM has become globally prevalent, and scientific research on increasingly garnered attention. Computer-aided drug design (CADD) been employed Western medicine for many contributing significantly its progress. However, role of CADD not systematically reviewed. This review briefly introduces methods from perspectives computational chemistry (including quantum chemistry, molecular mechanics, mechanics/molecular mechanics) informatics cheminformatics, bioinformatics, data mining). Then, it provides an exhaustive discussion applications these through rich cases. Finally, outlines advantages challenges research. conclusion, despite current challenges, still offers unique over experiments. With development industry computer science, especially driven by artificial intelligence, is poised play pivotal advancing

Language: Английский

Computer-Aided Drug Design in Research on Chinese Materia Medica: Methods, Applications, Advantages, and Challenges DOI Creative Commons
Ban Chen, Shuangshuang Liu, Hu Xia

et al.

Pharmaceutics, Journal Year: 2025, Volume and Issue: 17(3), P. 315 - 315

Published: March 1, 2025

Chinese materia medica (CMM) refers to the medicinal substances used in traditional medicine. In recent years, CMM has become globally prevalent, and scientific research on increasingly garnered attention. Computer-aided drug design (CADD) been employed Western medicine for many contributing significantly its progress. However, role of CADD not systematically reviewed. This review briefly introduces methods from perspectives computational chemistry (including quantum chemistry, molecular mechanics, mechanics/molecular mechanics) informatics cheminformatics, bioinformatics, data mining). Then, it provides an exhaustive discussion applications these through rich cases. Finally, outlines advantages challenges research. conclusion, despite current challenges, still offers unique over experiments. With development industry computer science, especially driven by artificial intelligence, is poised play pivotal advancing

Language: Английский

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