Unexpected local chiral switching events are shown to occur within strongly chemisorbed homochiral domains, in which a pair of surface-bonded molecules dynamically switches their chiral configuration for a short period of time.
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Structural and dynamical investigation of glassforming smectogen by X-ray diffraction and infra-red spectroscopy aided by density functional theory calculations.
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Article Synopsis
- Chiral recognition is crucial for drug effectiveness, as seen in the CBD derivative CIAC001, which targets pyruvate kinase M2 (PKM2) and shows anti-neuroinflammatory and anti-addiction properties.
- Four chiral isomers of CIAC001 were synthesized, and it was found that (7S)-(-)-CIAC001 had the strongest binding affinity and anti-inflammatory effects, significantly outperforming its (7R)-(-) counterpart.
- Molecular dynamics simulations indicated that (7S)-(-)-CIAC001's strong interaction with the PKM2 subunit, specifically with phenylalanine at position 26 (F26), is vital for its therapeutic efficacy, emphasizing the importance of chiral recognition in
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