Marine drugsHumansCaco-2 CellsSolubilityMolecular Dynamics SimulationPeptides
Fine-Tuning Side Chain Substitutions: Impacts on the Lipophilicity-Solubility-Permeability Interplay in Macrocyclic Peptides.
Yangping Deng, Hengwei Bian, Hongbo Li, Yingjun Cui, Sizheng Li, Jing Li, Li Chen, Xuemei Zhang, Zhuo Shen, Fengyue Li, Yue Chen, Haohao Fu
Published: 202510.3390/md24010013
Abstract
Macrocyclic drugs are promising for targeting undruggable proteins, including those in cancer. Our prior work identified BE-43547A2 (BE) as a selective inhibitor of pancreatic cancer stem cells in PANC-1 cultures, but its high lipophilicity limits cl…
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