High-throughput screening of dual-target inhibitors for SARS-CoV-2 main protease and papain-like protease from Chebulae Fructus: in silico prediction and experimental verification
PGG and TGG are the promising dual-target inhibitors of SARS-CoV-2, which may avoid drug resistance and have a good development prospect. The outcomes of this study provide an effective strategy to systematically explore the antiviral bioactive compounds from Chebulae Fructus.
Authors
- Yipeng Cao
- Zhiying Yang (ORCID: https://orcid.org/0000-0001-9787-9266)
- Yuefei Wang
- Бин Ли (ORCID: https://orcid.org/0000-0002-8038-0140)
- Min Zhang (ORCID: https://orcid.org/0000-0001-8107-5212)
- Xinyue Wang (ORCID: https://orcid.org/0000-0001-6990-783X)
- Qi Yang (ORCID: https://orcid.org/0000-0002-2067-3195)
- Xinru Li (ORCID: https://orcid.org/0000-0003-4846-9193)
- Jingjing Yang (ORCID: https://orcid.org/0000-0003-4434-9995)
- Changjian Wang (ORCID: https://orcid.org/0000-0002-1160-0365)
Institutions
- Tianjin University of Traditional Chinese Medicine (CN)
- Qingdao University of Science and Technology (CN)
- Tianjin Medical University Cancer Institute and Hospital (CN)
- Tianjin haihe hospital (CN)
Publication Details
- Journal
- Frontiers in Microbiology
- Published
- 2024-12-18
- DOI
- https://doi.org/10.3389/fmicb.2024.1510665
- Citations
- 1
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.36
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Shandong Province