背景:黄芩属作为芳香疗法具有良好的治疗能力。基于这一点和当地的实践。F.首次研究了精油的多种生物医学应用。
目的:本研究旨在通过筛选精油成分和检查其抗微生物药物来评估和验证其治疗能力,抗氧化剂,碳酸酐酶,并使用进一步的计算机评估和体内抗炎和镇痛能力来设计新的来源作为合成药物的天然药物替代品。
方法:通过加氢蒸馏获得精油,使用GC-MS对成分进行了剖析。使用琼脂孔扩散测定进行抗微生物评估。通过使用DPPH和ABTS测定法测定自由基清除能力。使用比色法检查碳酸酐酶-II,而抗糖尿病意义是使用α-葡萄糖苷酶测定法进行的。通过角叉菜胶诱导的爪水肿检查抗炎意义,并使用乙酸诱导的扭体测定法确定精油的镇痛特征。
结果:在苏尼斯人精油(SNEO)中检测到50种成分,占总环氧乙烷的95.93%,主要成分是24-norursa-3,12-二烯(10.12%),3-氧代甲酰氧化物(9.94%),7-abieten-18-乙酸甲酯(8.85%)。SNEO对革兰氏阳性细菌菌株(GPBSs)具有重要的抗性,枯草芽孢杆菌和枯草芽孢杆菌,与伤寒沙门氏菌和肺炎克雷伯菌相比,革兰氏阴性细菌菌株(GNBSs)以及与各自标准相关的两种真菌菌株寄生曲霉和黑曲霉。当与抗坏血酸相关时,与ABTS测定相比,在DPPH中观察到相当大的自由基清除能力。此外,当等同于他们的标准时,SNEO提供了相当大的体外碳酸酐酶II和抗糖尿病能力。此外,通过计算机技术测试了Sneo的9种主要化合物的抗糖尿病行为,例如分子对接,这有助于评估蛋白质与每种化合物的结合接触的重要性以及药代动力学评估以检查药物样特征。100ns的分子动力学模拟和结合自由能评估,如PBSA和GBSA模型解释了分子复合物的分子力学和稳定性。还观察到SNEO描绘了实质性的抗炎和镇痛能力。
结论:因此,结论是,SNEO包含具有生物医学意义的生物活性成分,如抗微生物,抗氧化剂,CA-II,抗糖尿病药,抗炎,和镇痛剂。计算验证还描述了SNEO可能是发现抗糖尿病药物的有效来源。
BACKGROUND: The Scutellaria genus has promising therapeutic capabilities as an aromatherapy. Based on that and local practices of S. nuristanica Rech. F. The essential oil was studied for the first time for its diverse biomedical applications.
OBJECTIVE: This study aimed to evaluate and validate their therapeutic capabilities by screening the essential oil ingredients and examining their antimicrobial, antioxidant, carbonic anhydrase, and antidiabetic using further In silico assessment and In vivo anti-inflammatory and analgesic capabilities to devise novel sources as natural remedies alternative to the synthetic drugs.
METHODS: Essential oil was obtained through hydrodistillation, and the constituents were profiled using GC-MS. The antimicrobial assessment was conducted using an agar well diffusion assay. Free radical scavenging capabilities were determined by employing DPPH and ABTS assay. The carbonic anhydrase-II was examined using colorimetric assay, while the antidiabetic significance was performed using α-Glucosidase assay. The anti-inflammatory significance was examined through carrageenan-induced paw edema, and the analgesic features of the essential oil were determined using an acetic acid-induced writhing assay.
RESULTS: Fifty constituents were detected in S. nuristanica essential oil (SNEO), contributing 95.93 % of the total EO, with the predominant constituents being 24-norursa-3,12-diene (10.12 %), 3-oxomanoyl oxide (9.94 %), methyl 7-abieten-18-oate (8.85 %). SNEO presented significance resistance against the Gram-positive bacterial strains (GPBSs), Bacillus atrophaeus and Bacillus subtilis, as compared to the Salmonella typhi and Klebsiella pneumoniae, Gram-negative bacterial strains (GNBSs) as well as two fungal strains Aspergillus parasiticus and Aspergillus niger associated with their respective standards. Considerable free radical scavenging capacity was observed in DPPH compared to the ABTS assay when correlated with ascorbic acid. In addition, when equated with their standards, SNEO offered considerable in vitro carbonic anhydrase II and antidiabetic capabilities. Additionally, the antidiabetic behavior of the 9 dominant compounds of SNEO was tested via In silico techniques, such as molecular docking, which assisted in the assessment of the significance of binding contacts of protein with each chemical compound and pharmacokinetic evaluations to examine the drug-like characteristics. Molecular dynamic simulations at 100 ns and binding free energy evaluations such as PBSA and GBSA models explain the molecular mechanics and stability of molecular complexes. It was also observed that SNEO depicted substantial anti-inflammatory and analgesic capabilities.
CONCLUSIONS: Hence, it was concluded that the SNEO comprises bioactive ingredients with biomedical significance, such as anti-microbial, antioxidant, CA-II, antidiabetic, anti-inflammatory, and analgesic agents. The computational validation also depicted that SNEO could be a potent source for the discovery of anti-diabetic drugs.