Fuente: PubMed "medicinal and aromatic plants" Chem Asian J. 2026 Apr;21(7):e70722. doi: 10.1002/asia.70722.ABSTRACTCrystallographic studies of potential bioactive compounds provide insight into the mode of molecular recognition and the nature of intermolecular interactions responsible for receptor-binding. Bischromans, which are dimers of precocenes, have structural similarity with 17β-estradiol and are promising estrogen receptor (ER) agonists or antagonists. In order to understand the intermolecular interactions of biscroman-like scaffolds responsible for molecular recognition and aggregation, we analysed the crystal structures of 10 precocene derivatives in detail. The structures of derivatives 1 and 2 are reported in this study, and are compared with eight other previously reported precocene derivatives (3-10). Compounds 1-4 are precocene dimers, while 5-10 are stilbenoid derivatives of precocene. Although a hydroxyl functional group is present in 6 compounds, intermolecular hydrogen bonds are observed in the molecular packing of three derivatives, viz, 2, 5, and 8. Aromatic ring interactions are found in 9 out of 10 crystal structures, marking them as a major contributor in facilitating molecular aggregation. Molecular docking analysis indicates that compounds 1-10 have moderate to high binding affinity with ERα and ERβ. Notably, all derivatives that bind at the ligand-binding pocket showed favorable centroid…centroid distances with Phe404 (ERα) and Phe356 (ERβ), mimicking the binding of 17β-estradiol to the ER proteins.PMID:41954226 | DOI:10.1002/asia.70722