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Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins

机译:乳香的蛋白质靶点:乳香树胶树脂类萜的反向对接分析

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摘要

>Background: Frankincense, the oleo-gum resin of Boswellia trees, has been used in traditional medicine since ancient times. Frankincense has been used to treat wounds and skin infections, inflammatory diseases, dementia, and various other conditions. However, in many cases, the biomolecular targets for frankincense components are not well established. >Methods: In this work, we have carried out a reverse docking study of Boswellia diterpenoids and triterpenoids with a library of 16034 potential druggable target proteins. >Results: Boswellia diterpenoids showed selective docking to acetylcholinesterase, several bacterial target proteins, and HIV-1 reverse transcriptase. Boswellia triterpenoids targeted the cancer-relevant proteins (poly(ADP-ribose) polymerase-1, tankyrase, and folate receptor β), inflammation-relevant proteins (phospholipase A2, epoxide hydrolase, and fibroblast collagenase), and the diabetes target 11β-hydroxysteroid dehydrogenase. >Conclusions: The preferential docking of Boswellia terpenoids is consistent with the traditional uses and the established biological activities of frankincense.
机译:>背景:乳香是乳香树的油脂树脂,自古以来就被用于传统医学。乳香已被用于治疗伤口和皮肤感染,炎性疾病,痴呆和各种其他疾病。但是,在许多情况下,乳香成分的生物分子靶标尚未很好地建立。 >方法:在这项工作中,我们对乳香双萜和三萜进行了对接研究,该库包含16034个潜在可药物化的靶蛋白。 >结果:乳香二萜类化合物选择性地与乙酰胆碱酯酶,几种细菌靶蛋白和HIV-1逆转录酶对接。乳香三萜类化合物靶向与癌症相关的蛋白质(聚(ADP-核糖)聚合酶-1,坦科聚合酶和叶酸受体β),炎症相关蛋白质(磷脂酶A2,环氧化物水解酶和成纤维细胞胶原酶),而糖尿病靶向11β-羟基类固醇脱氢酶。 >结论:乳香萜类化合物的优先对接与传统用途和已建立的乳香生物活性相一致。

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