MicroED and NMR map conformational behavior of two macrocyclic kinase inhibitors
Academic source · ACS Omega
Source published: · Event / reporting date: 2026-11-04
Site published: 2026-11-08 · Updated: 2026-11-08
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What the paper reports
Researchers combined MicroED, NMR, and molecular docking to characterize pacritinib and zotiraciclib. They linked conformational changes to properties relevant to solubility and permeability, identifying environment-dependent polar exposure in pacritinib and protonation-dependent states in zotiraciclib. The abstract reports structural and computational findings; it does not establish new human pharmacokinetic outcomes.
Why this paper is included
Potential business implication: complementary solid-state and solution measurements may help prioritize conformational questions in macrocyclic small-molecule development.
The interpretation above is analysis, not a conclusion attributed to the original source.
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