Discovery of novel inhibitory peptides on matrix metalloproteinases and elastase for skin antiaging using batch molecular docking strategy
The virtual strategy efficiently identified multifunctional antiaging peptides and could accelerate the discovery of bioactive peptides for cosmetic and therapeutic use. Additionally, its efficiency makes it useful for building high-quality training sets in deep learning models for bioactive structure discovery.
Authors
- Weihu Li
- Lihua Yang (ORCID: https://orcid.org/0000-0003-2570-076X)
- Daoxin Dai (ORCID: https://orcid.org/0000-0002-2769-3009)
- Lei Du (ORCID: https://orcid.org/0000-0002-1951-6256)
- Rongchao Wang
- Siyu Chen (ORCID: https://orcid.org/0000-0001-9418-2527)
- Jingli Xie (ORCID: https://orcid.org/0000-0002-4666-4019)
- Li Zhao (ORCID: https://orcid.org/0009-0006-0022-5973)
- Binhai Shi (ORCID: https://orcid.org/0009-0002-1989-2566)
Institutions
- East China University of Science and Technology (CN)
- Shiseido Group (Japan) (JP)
- South China Institute of Collaborative Innovation (CN)
- State Key Laboratory of Bioreactor Engineering
Publication Details
- Journal
- Expert Opinion on Drug Discovery
- Published
- 2025-11-20
- DOI
- https://doi.org/10.1080/17460441.2025.2593382
- Citations
- 1
- Primary Topic
- Protease and Inhibitor Mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 0.94