Structural Determination Biological Function and Molecular Modelling Studies of Sulfoaildenafil Adulterated in Herbal Dietary Supplement




Unapproved ingredients included in herbal medicines and dietary supplements have been detected as adulterated synthetic drugs used for erectile dysfunction. Extraction from a dietary supplement was performed to isolate the compounds by HPLC analysis. The structural characterization was confirmed using mass spectrometry (ESI-TOF/MS and LC-MS/MS), 1H NMR, and 13C NMR spectroscopy techniques. Results identified the thus-obtained compound to be sulfoaildenafil, a thioketone analogue of sildenafil. The biological activities of this active compound have been focused for the first time by the experimental point of view performance in vitro. The results revealed that sulfoaildenafil can affect the therapeutic level of nitric oxide through the upregulation of nitric oxide synthase and phosphodiesterase type 5 (PDE5) gene expressions. This bulk material, which displays structural similarity to sildenafil, was analyzed for the presence of a PDE5 inhibitor using a theoretical calculation. These unique features of the potential activity of PDE5 protein and its inhibitors, sildenafil and sulfoaildenafil, may play a key consideration for understanding the mode of actions and predicting the biological activities of PDE5 inhibitors.
机译:未经批准的草药和膳食补充剂中包含的成分已被检测为用于勃起功能障碍的掺假合成药物。进行从膳食补充剂中提取以通过HPLC分析分离化合物。使用质谱(ESI-TOF / MS和LC-MS / MS),1H NMR和13C NMR光谱技术确认结构表征。结果将由此获得的化合物鉴定为Silfoaildenafil,Sildenafil的硫代酮类似物。该活性化合物的生物活性通过体外观察性能的实验点首次集中于第一次。结果表明,硫妥德德德德妥会通过氧化氮合酶和磷酸二酯酶型5(PDE5)基因表达的上调来影响一氧化氮的治疗水平。通过理论计算分析与Sildenafil的结构相似性显示结构相似的本体材料。使用理论计算,对PDE5抑制剂的存在进行分析。 PDE5蛋白及其抑制剂潜在活性的这些独特的特征,Sildenafil和Sulfoaildenafil可能发挥关键考虑,以了解所述动作模式和预测PDE5抑制剂的生物活性。



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