Recently, we have shown in vitro anti-hepatitis B virus (HBV) activity of G. senegalensis J.F. Gmel leaves, and Identified quercetin and other flavonoids by HPTLC. Here we report bioassay-directed fractionation of G. senegalensis leaves using column chromatography and isolation of two flavonoinds from the n-butanol fraction, their structure determination (¹H NMR, ¹³C NMR and 2D-NMR) and assessment of antiviral activities (HBsAg and HBeAg assay) in HBV-reporter HepG2.2.2.15 cells. Further molecular docking was performed against HBV polymerase (Pol/RT) and capsid (Core) proteins as well as host-receptor sodium taurocholate co-transporting polypeptide (NTCP). The two isolated bioactive compounds were identified as quercetin and myricetin-3-O-rhamnoside. Quercetin significantly inhibited synthesis of HBsAg and HBeAg by about 60% and 62%, respectively as compared to myricetin-3-O-rhamnoside by 44% and 35%, respectively. Molecular docking of the two anti-HBV flavonoids revealed their higher binding affinities towards Pol/RT than Core and NTCP. In conclusion, this is the first report on anti-HBV active myricetin-3-O-rhamnoside along with quercetin isolated from G. senegalensis leaves. Their possible mode of anti-HBV activities are suggested through binding with viral Pol/RT and Core as well as host NTCP proteins.

最近，我们在体外展示了G. senegalensis JF Gmel叶的抗乙型肝炎病毒（HBV）活性，并通过HPTLC鉴定了槲皮素和其他黄酮类化合物。在这里，我们报告了使用柱色谱法对塞内加尔G. senegalensis叶进行生物测定指导的分级分离，并从正丁醇馏分中分离出两种黄酮类化合物，确定其结构（ ¹ H NMR、 ¹³ C NMR 和 2D-​​NMR）以及抗病毒活性评估（HBsAg）和 HBeAg 检测）在 HBV 报告基因 HepG2.2.2.15 细胞中。针对 HBV 聚合酶 (Pol/RT) 和衣壳 (Core) 蛋白以及宿主-受体牛磺胆酸钠共转运多肽 (NTCP) 进行了进一步的分子对接。这两种分离的生物活性化合物被鉴定为槲皮素和杨梅素-3- O-鼠李糖苷。槲皮素显着抑制 HBsAg 和 HBeAg 的合成，分别约 60% 和 62%，而杨梅素-3- O-鼠李糖苷则分别抑制 44% 和 35%。两种抗 HBV 黄酮类化合物的分子对接表明，它们对 Pol/RT 的结合亲和力高于 Core 和 NTCP。总之，这是首次报道从塞内加尔叶中分离出抗 HBV 活性的杨梅素-3- O-鼠李糖苷和槲皮素。通过与病毒 Pol/RT 和 Core 以及宿主 NTCP 蛋白结合，表明它们可能具有抗 HBV 活性。