Issue |
E3S Web of Conf.
Volume 553, 2024
2024 International Conference on Ecological Protection and Environmental Chemistry (EPEC 2024)
|
|
---|---|---|
Article Number | 04013 | |
Number of page(s) | 9 | |
Section | Advanced Technologies and Applications | |
DOI | https://doi.org/10.1051/e3sconf/202455304013 | |
Published online | 24 July 2024 |
Research on targeted drug design based on computer technology
College of Chemistry, Fuzhou University, Fuzhou, China
* Corresponding author: 132301113@fzu.edu.cn
This paper provides an insight into the importance and application of computer-aided drug design in today’s drug discovery and development. With the development of medicinal chemistry, molecular biology and proteomics, the synthesis and extraction pathways of many common drugs have been computer-assisted, which helps to optimize the reaction conditions, reduce the generation of waste and hazardous substances, and promote green synthesis and sustainable development. Scientists have conducted in-depth research on the pathogenesis of various diseases, especially in the field of oncology, where significant progress has been made. The intervention of computer technology in drug design and target search has accelerated the process of drug research and development and improved work efficiency. Meanwhile, the current progress of targeted drug research, traditional drug synthesis and target searching methods and computer-assisted target searching and drug design are introduced. Many targeted drugs have been applied in the clinic and shown good therapeutic effects, such as the application of EGFR inhibitors in non-small cell lung cancer patients. Traditional drug synthesis routes are complex, while computer design of targeted drugs can be used to obtain the desired drugs more easily. The article also details the general process and software used for computer-aided drug design, including methods for simulating target finding, protein prediction, and more. Although computer-aided design has made significant progress in the development of targeted anticancer drugs, some challenges remain, such as problems with prediction accuracy, design speed, and multidisciplinary integration. However, the accuracy and efficiency of targeted drug design can be improved by integrating the latest computational models and algorithms. In the future, combining big data and machine learning technologies, computer-aided drug synthesis is expected to become an important tool for drug development, improving therapeutic efficacy and reducing side effects.
© The Authors, published by EDP Sciences, 2024
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.