OBOC screening of high activity and low-toxic polymyxin analogs against MCR-1 resistant strains
We performed inverse synthesis to create 1152 structural analogs of polymyxin B with modified hydrophilicity and charge properties using OBOC technology. This led to the identification of two promising candidates that provided insights into structure-activity relationships. These compounds maintained high antibacterial activity while expanding the safety window 4-16 times.
Authors
- Pengfei Zou (ORCID: https://orcid.org/0000-0003-3350-9949)
- Hao Wang (ORCID: https://orcid.org/0000-0002-5808-0256)
- Wenhong Zheng
- Xin Wang (ORCID: https://orcid.org/0000-0002-5122-2418)
- Lili Li (ORCID: https://orcid.org/0000-0002-9793-3995)
- Tongyi Sun (ORCID: https://orcid.org/0009-0008-7282-7310)
- Huihui Lian
Institutions
- Weifang Medical University (CN)
- Beijing Institute of Technology (CN)
- National Center for Nanoscience and Technology (CN)
- Beijing University of Chemical Technology (CN)
Publication Details
- Journal
- Biomaterials Science
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5bm00362h
- Citations
- 1
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 1.50