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，我们已经显示了塞内加尔牛JF Gmel叶的体外抗乙型肝炎病毒（HBV）活性，并通过HPTLC鉴定了槲皮素和其他类黄酮。在这里，我们报道了使用柱色谱法从塞内加尔牛肝菌的生物测定方法进行分级分离，并从正丁醇级分中分离出两种黄酮类化合物，并对其结构进行了测定（¹ H NMR，¹³C NMR和2D NMR）以及在HBV报告者HepG2.2.2.15细胞中评估抗病毒活性（HBsAg和HBeAg分析）。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。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，分别比杨梅素-3- O-鼠李糖苷分别抑制约60％和62％，分别抑制约44％和35％。两种抗HBV类黄酮的分子对接表明，它们对Pol / RT的结合亲和力高于Core和NTCP。总之，这是有关抗HBV活性杨梅素-3- O的首次报道鼠李糖苷与槲皮素一起从塞内加尔G. senegalensis叶子分离。通过与病毒Pol / RT和Core以及宿主NTCP蛋白结合，提示了它们可能的抗HBV活性模式。