使用高效薄层色谱(HPTLC)指纹图谱和气相色谱-质谱(GC-MS)评估草本植物提取物中的次级代谢产物是令人感兴趣的。使用不同溶剂提取的粉状植物材料用于生物碱的定性分析,黄酮类化合物,萜类和皂苷,然后进行HPTLC指纹和GC-MS分析。将GC-MS中鉴定的组分与雌激素受体(ER)对接以鉴定分离的化合物的结合特异性。与其他溶剂系统相比,草杆菌的乙酸乙酯提取物显示出大量次生代谢物的存在。对植物材料的定性分析还显示了碳水化合物的存在,蛋白质,氨基酸,苯酚,黄酮类化合物,萜类化合物,糖苷,皂苷和类固醇。HPTLC指纹分析揭示了生物碱的存在,类黄酮,萜类和皂苷化合物和GC-MS。进行GC-MS以鉴定提取物中的植物组分成分。鉴定了8种植物化合物以分析与ER的结合。结合亲和力评分(-6.8kcal/mol)和相互作用的ER残基(28),与标准药物拉索昔芬相比,植物化合物邻苯二甲酸二正辛酯与ERα的对接评分最好,和4-羟基他莫昔芬。结合亲和力和相互作用的ER残基的数量分别为-6.9kcal/mol;10和-6.2;11。结果确定了草本植物中ER拮抗剂的存在,并值得进一步研究以探索治疗ER调节的疾病。
It is of interest to evaluate the secondary metabolites using high performance thin layer chromatography (HPTLC) finger printing and Gas chromatography-Mass spectroscopy (GC-MS) in S. herbaceaextract. The powdered plant material extracted using different solvents were used for the qualitative analysis of alkaloids, flavonoids, terpenoids and saponins followed by HPTLC finger printing and GC-MS analysis. The components identified in the GC-MS were docked with estrogen receptor (ER) to identify the binding specificity of isolated compounds. The ethyl acetate extract of S. herbaceashowed the presence of high number of secondary metabolites when compared to other solvent system. The qualitative analysis of the plant material also showed the presence of carbohydrates, protein, amino acid, phenol, flavonoids, terpenoids, glycosides, saponins and steroids. The HPTLC finger printing analysis revealed the existence of alkaloid, flavonoid, terpenoid and saponin compounds and GC-MS. GC-MS was performed to identify the phytocomponents constituents in the extract. 8 phytocompounds were identified to analyse binding with ER. The binding affinity score (-6.8 kcal/mol) and interacting ER residues (28) the phyto compound di-n-octyl phthalate showed best docking score with ER α than the standard drugs lasofoxifene, and 4-hydroxytamoxifen. The binding affinity and number of interacting ER residues was -6.9 kcal/mol; 10 and -6.2; 11, respectively. The results identified the presence of ER antagonist in S. herbaceaand warrants further investigation to explore for treating ER regulated diseases.