背景:樟子草具有悠久的历史,可以用来治疗各种疾病。然而,对这些植物的研究被忽略,特别是它们的药理潜力。
方法:使用LC-MS分析鉴定粗提取物。进行了体外测定以确定抗氧化剂的性质,抗微生物,和抗癌。Further,提出了网络药理学来评估化合物抗乳腺癌和II型糖尿病的潜在靶标。使用分子对接和分子动力学模拟来确定用于糖尿病药物配方的潜在化合物。
结果:使用LC-MS和Galiposin鉴定了各种生物活性化合物,Fujiketin,BoeravinoneB,4-脱氧苯醌,和Norbaeocystin首次从植物中被描述。抗氧化潜能的测定表明,ABTS的IC50值,DPPH,磷钼酸盐为24.33微克/毫升,37.81微克/毫升,60.35微克/毫升,和减少功率测定1.185。对化脓性链球菌的抗菌活性,金黄色葡萄球菌,铜绿假单胞菌,并测定了大肠杆菌,最小抑制浓度(MIC)为5.3mg/ml,3.47mg/ml,3.33mg/ml,和2.7毫克/毫升,揭示提取物作为有效的抗菌剂。植物提取物的IC50值被确定为26μg/ml,30.52微克/毫升,HeLa为24.39微克/毫升,MCF-7和K-562细胞,分别,植物提取物浓度的增加增加了LDH的释放。此外,计算机网络药理学,GAPDH和HIF-1靶蛋白对接得分最高的分子对接-9.3kcal/mol,和-11.3kcal/mol结合亲和力,和分子动力学模拟分析表明,植物中存在的生物活性化合物BoeravinoneB对于治疗各种疾病具有重要意义。
结论:根据我们的发现,植物提取物可能是开发新药物配方的一个有希望的选择。
BACKGROUND: Lepionurus sylvestris Blume has a long history of folklore medicinal usage against various ailments. However, studies on these plants were neglected particularly their pharmacological potential.
METHODS: The crude extract was identified using LC-MS analysis. In vitro assays were carried out to determine the properties of antioxidant, anti-microbial, and anti-cancer. Further, network pharmacology was proposed to evaluate the potential targets of the compounds against breast cancer and type II diabetes. Molecular docking and molecular dynamic simulation were used to determine the potential compounds for the drug formulation of diabetes.
RESULTS: Various bioactive compounds were identfied using LC-MS and Galiposin, Fujikinetin, Boeravinone B, 4-Deoxybryaquinone, and Norbaeocystin were described for the first time from the plant. Determination of antioxidant potential showed that the IC50 value of ABTS, DPPH, and phosphomolybdate was 24.33 µg/ml, 37.81 µg/ml, 60.35 µg/ml, and reducing power assays 1.185. The antibacterial activity against Streptococcus pyogenes, Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli was determined, and the minimum inhibition concentration (MIC) was found to be 5.3 mg/ml, 3.47 mg/ml, 3.33 mg/ml, and 2.7 mg/ml respectively, revealing the extracts as effective antibacterial agents. The IC50 values for the plant extract were determined to be 26 µg/ml, 30.52 µg/ml, and 24.39 µg/ml for HeLa, MCF-7, and K-562 cells, respectively, and the increasing concentration of the plant extract increased LDH release. Furthermore, the in silico network pharmacology, molecular docking which had the highest docking score for GAPDH and HIF-1 target proteins of -9.3 kcal/mol, and - 11.3 kcal/mol binding affinities, and molecular dynamic simulation analysis revealed the bioactive compound Boeravinone B present in the plant was significant for the treatment of various ailments.
CONCLUSIONS: Based on our findings, plant extracts could be a promising option for developing new drug formulations.