■Agugaintegrifolia(Armagusa)用作治疗高血压和糖尿病的汤剂,广泛在埃塞俄比亚。到目前为止,尚未鉴定出具有抗高血压活性的特定化合物。这项研究旨在为A作为抗高血压药的治疗应用提供科学依据。
■使用计算机研究来评估A.integrifolia的抗高血压成分。在本研究中,使用HPLC分析和从A.integrifolia中分离出的环烯醚萜苷以及从同义词中分离出的类黄酮(A.在分子对接研究中考虑了remota和a.bractosa)。通过在PyRx0.8上使用Autodockvina(1.2)并使用ligPlot和Discoverystudio软件在2D和3D中可视化来研究相互作用。使用在线服务器预测了诸如血管保护和药物特性之类的活动。
■黄酮类化合物,例如槲皮素,杨梅素,通过HPLC分析鉴定和定量来自A.integrifolia不同提取物的芦丁。从A.integrifolia的地上部分分离的Reptoside和8-O-乙酰harpgide。本研究中考虑的所有17种候选物的结合能范围为-10.2kcal/mol至-7.5kcal/mol,低于依那普利(参考药物:-5.9kcal/mol)。结合能,在大多数情况下,构成氢键。使用PASS试验预测的生物活性还表明,类黄酮比环烯醚萜苷具有更高的活性概率。候选分子的药物相似特性表明,大多数遵循Lipinski规则的五个规则,很少违反。
■涉及氢键和有关高血压的预测活动的较低结合能证实了有关药用植物的地上部分的传统使用。黄酮类化合物:芦丁,杨梅素,槲皮素,和山奈酚在A.integrifolia的地上部分的抗高血压活性中起主导作用。所研究的环烯醚萜苷对其降压活性的作用几乎相似,并且仍然比参考药物更好。
UNASSIGNED: Ajuga integrifolia (Armagusa) is used as a decoction to treat high blood pressure and diabetes, widely in Ethiopia. Specific compounds for anti-hypertension activity were not identified so far. This study aims to provide a scientific basis for the therapeutic use of A. integrifolia as an
antihypertension agent.
UNASSIGNED: In silico studies were used to evaluate the antihypertensive components of A. integrifolia. Flavonoids identified using HPLC analysis and iridoid glycosides isolated from A. integrifolia in this study and those isolated from synonyms (A. remota and A. bractosa) were considered in the molecular docking study. Interactions were studied by using Autodock vina (1.2) on PyRx 0.8 and visualizing in 2D and 3D using ligPlot+ and Discovery studio software. Activities like vasoprotection and druglikeness properties were predicted using online servers.
UNASSIGNED: Flavonoids such as quercetin, myricetin, and rutin were identified and quantified by HPLC analysis from different extracts of A. integrifolia. Reptoside and 8-O-acetylharpgide isolated from the aerial part of A. integrifolia. The binding energies of all 17 candidates considered in this study range from -10.2 kcal/mol to -7.5 kcal/mol and are lower than enalapril (reference drug: -5.9 kcal/mol). The binding energies, in most case, constitute hydrogen bonding. Biological activity predicted using PASS test also showed that the flavonoids have more probability of activity than the iridoid glycosides. Druglikeness properties of the candidate molecules showed that most follow the Lipinski rule of five with few violations.
UNASSIGNED: Lower binding energies involving hydrogen bonding and predicted activities concerning hypertension confirm the traditional use of the aerial part of the medicinal plant concerned. Flavonoids: rutin, myricetin, quercetin, and kaempferol take the leading role in the antihypertensive activity of the aerial part of A. integrifolia. The iridoid glycosides studied are almost similar in their effect on their antihypertensive activity and still better than the reference drug.