Application of reverse docking in traditional Chinese medicine research

Yeye Ji

doi:10.1117/12.2669488

24 March 2023 Application of reverse docking in traditional Chinese medicine research

Yeye Ji

Proceedings Volume 12611, Second International Conference on Biological Engineering and Medical Science (ICBioMed 2022); 126116M (2023) https://doi.org/10.1117/12.2669488
Event: International Conference on Biological Engineering and Medical Science (ICBioMed2022), 2022, Oxford, United Kingdom

Abstract

With the enhancement of computer-aided drug design (CADD), technologies like reverse docking provide support for research about Traditional Chinese Medicine (TCM), which is often used for multi-target therapy on account of the diverse active ingredients. Reverse docking is a method for reverse target finding. It can directly use the target structure information to forecast the strength of the interaction between the target and the ligand. Major disadvantages of reverse docking lie in the limited searching space and calculation speed. The three-dimensional structure information of the target and the preprocessed ligand structure are required when using reverse docking. Numerous studies have paved the way for application reverse docking in TCM. This article summarizes use of reverse docking in recognizing potential targets and exploring action mechanisms especially for TCM.

Citation Download Citation

Yeye Ji "Application of reverse docking in traditional Chinese medicine research", Proc. SPIE 12611, Second International Conference on Biological Engineering and Medical Science (ICBioMed 2022), 126116M (24 March 2023); https://doi.org/10.1117/12.2669488

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