Computer-Aided Drug Design in Modern Drug Discovery
- 1st Edition - May 6, 2026
- Latest edition
- Editors: Yinuo Wu, Tianmiao Ou, Dongsheng Cao
- Language: English
Computer-Aided Drug Design in Modern Drug Discovery offers an in-depth exploration of CADD, featuring real-world case studies and practical examples that empower researchers to eff… Read more
Description
Description
The book also showcases a selection of marketed drugs developed with CADD or AI, such as Captopril, Tirofiban, and Crizotinib, providing invaluable insights into the successes and challenges faced in real-world applications. Finally, the discussion of emerging trends and future directions in CADD and AI highlights the ongoing evolution of these methodologies and their integration with traditional drug development processes.
Key features
Key features
- Provides real-world case studies that demonstrate successful CADD applications in drug development
- Simplifies complex concepts, making CADD accessible for researchers at all experience levels
- Highlights emerging trends and future directions in CADD and AI for informed decision-making
- Integrates theoretical knowledge with practical examples to enhance understanding and applications in drug discovery
- Encourages innovative approaches to drug design through comprehensive insights and expert contributions
Readership
Readership
Table of contents
Table of contents
2. Introduction of AI in Drug Design
3. Approaches of CADD in Drug Discovery
4. Marketed or clinical Drugs Designed aided by CADD or AI
5. Emerging Trends and Future Directions in CADD and AI
Product details
Product details
- Edition: 1
- Latest edition
- Published: May 6, 2026
- Language: English
About the editors
About the editors
YW
Yinuo Wu
Dr. Yinuo Wu is an associate Professor in Medicinal Chemistry. She did her undergraduate degree at the Sun Yat-sen University (2002-2006) and then carried out a PhD (2006-2011). After two years of post-doctoral at the Hong Kong polytechnic University, she started her academic career in 2013 at Sun Yat-sen University. Dr. Yinuo Wu is particularly interested in the development of anti-fibrosis drug candidates. In the last five years, Dr. Wu has more than 50 publications and several patents on this field.
TO
Tianmiao Ou
Dr. Tianmiao Ou is a Professor in Medicinal Chemistry and Chemical Biology. She did her undergraduate degree at the China Pharmaceutical University (1998-2002) and then carried out a PhD under the supervision of Professor Lianquan Gu (2002-2007). She started her academic career in 2007 in the Sun Yat-sen University. She had traveled to UK as an academic visitor and worked in the group of Professor Shankar Balasubramanian at the University of Cambridge (2012-2013). The whole group is particularly interested in the role of non-canonical nucleic acid structures that control gene expression (e.g. G-quadruplexes, and RNA structures in the non-coding regions of mRNAs). Their goal is to find out small organic molecules that target such structures and alter the expression of certain genes of interest. Such small molecule gene regulators are valuable tools to study mechanisms in biology and will also open up new approaches for therapeutics and molecular medicine, particularly for diseases characterized by aberrant expression of certain genes. Under the support of various funding, Dr. Ou has more than 70 publications and several patents on this field.
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