ArticleMedicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents2026
A fast high-throughput logP estimation method for peptide molecules based on liquid chromatography-mass spectrometry method.
Article in Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
We have developed a complete end-to-end high-throughput protocol for rapid estimation of logP values of peptide molecules. This scheme combines two core technologies: firstly, the "pool and split" high-throughput synthesis technology is used to efficiently prepare peptide samples; secondly, a logP detection method based on ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) was developed, which relies on high-resolution mass spectrometry to accurately identify hundreds of components in mixed samples. In addition, we innovatively established a linear correlation model between chromatographic capacity factor logK' and logP, which has an excellent correlation (R² = 0.92) and can accelerate fully automated data analysis. Finally, we successfully synthesized and detected mixed samples containing 16, 81, and 256 peptide molecules, with a logP detection rate exceeding 85%. The sample processing capacity of this detection system can exceed 20000 per day, which can significantly accelerate the early screening process of lead molecules in drug development.
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