Abstract
<title>Abstract</title> <p> <bold>Background</bold> <italic>Astragalus</italic> is one of the most widely distributed plant genera worldwide, and several species have been reported to possess phytoestrogenic properties. This study aimed to investigate the phytochemical composition of <italic>Astragalus aegobromus</italic> Boiss. & Hohen., an Iranian species, and to evaluate the predicted interactions of its isolated compounds with estrogen receptors. <bold>Methods</bold> A methanolic root extract was prepared by maceration. Total flavonoid content was determined using the aluminum chloride colorimetric assay, and genistein was quantified by high-performance liquid chromatography (HPLC). The extract was fractionated by silica gel column chromatography, and the isolated compounds were characterized using ^1H NMR, ^13C NMR, and mass spectrometry. Compound purity was evaluated by HPLC. Molecular docking was performed to assess the predicted binding of the isolated compounds to estrogen receptors α and β. <bold>Results</bold> The total flavonoid content was 0.0454 mg/g dry root, and the genistein content was 11.125 ppm in a 100 ppm extract (0.11%, w/w). Five compounds were isolated and identified, all of which are reported for the first time from <italic>Astragalus aegobromus</italic> . The purity of compounds 2–4 and 10 − 7 was 82.31% and 69.26%, respectively. Molecular docking predicted favorable binding affinities of the isolated compounds toward both estrogen receptor α and β. <bold>Conclusion</bold> The isolated compounds from <italic>A. aegobromus</italic> represent promising candidates for further investigation as potential estrogen receptor modulators. However, their biological activities and mechanisms of action should be confirmed through appropriate in vitro and in vivo studies. </p>