HIV-1-RT inhibition activity of Satureja spicigera (C.KOCH) BOISS. Aqueous extract and docking studies of phenolic compounds identified by RP-HPLC-DAD,Journal of Food Biochemistry

当前位置： X-MOL 学术 › J. Food Biochem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

HIV-1-RT inhibition activity of Satureja spicigera (C.KOCH) BOISS. Aqueous extract and docking studies of phenolic compounds identified by RP-HPLC-DAD
Journal of Food Biochemistry ( IF 3.5 ) Pub Date : 2021-09-03 , DOI: 10.1111/jfbc.13921
Ersan Bektaş ₁ , Huseyin Sahin ₁ , Ali Osman Beldüz ₂ , Halil İbrahim Güler ₃

Affiliation

AIDS is a global disease caused by HIV, affecting millions of people and causing death. The current limitations of antiretroviral therapy used in the therapy of HIV/AIDS have led to the need to search for new and effective drugs from natural products, especially plants. Herewith, using the present study, the detection of HIV-1-RT inhibition of aqueous extract of Satureja spicigera (C.KOCH) BOISS. was performed for the first time. Besides, total phenolic content (TPC), analysis of phenolic constituents by RP-HPLC-DAD and antioxidant capacity by DPPH and Ferric reducing antioxidant power (FRAP) methods were determined for the first time. In addition, molecular docking studies were carried out between HIV-1-RT and phenolic substances, the presence of which was determined in the aqueous extract, for the determination of the phenolics that may be responsible for HIV-1-RT activity. HIV-1-RT inhibition was defined as IC₅₀: 22.83 μg/ml. Benzoic acid, vanillin, rutin, and chlorogenic acid were present as main phenolics in quantities of 621.96, 505.87, 349.33, and 323.23 µg phenolic/g extract, respectively. Further, TPC, DPPH, and FRAP were calculated as in the order of 151.69 mg GAE/g extract, 23.77 µg/ml, and 445.7 µmol TE/g extract. Chlorogenic acid (−8.48 kcal/mol) was found to be the most effective ligand in docking studies, with a value close to positive standard nevirapine (−9.35 kcal/mol). Hereby, although the aqueous extract of S. spicigera can be used as a natural antioxidant, the crude extract or its phenolics have the potential to be used in the treatment of AIDS due to its high HIV-1-RT activity.

中文翻译：

Satureja spigera (C.KOCH) BOISS 的 HIV-1-RT 抑制活性。RP-HPLC-DAD 鉴定酚类化合物的水提物和对接研究

艾滋病是一种由艾滋病毒引起的全球性疾病，影响数百万人并导致死亡。目前用于治疗艾滋病毒/艾滋病的抗逆转录病毒疗法的局限性导致需要从天然产物，特别是植物中寻找新的有效药物。因此，使用本研究，检测Satureja spigera水提取物的 HIV-1-RT 抑制作用(C.KOCH) 博伊斯。第一次进行。此外，首次测定了总酚含量（TPC）、RP-HPLC-DAD对酚类成分的分析以及DPPH和铁还原抗氧化能力（FRAP）方法的抗氧化能力。此外，在 HIV-1-RT 和酚类物质之间进行了分子对接研究，在水提取物中确定了酚类物质的存在，以确定可能导致 HIV-1-RT 活性的酚类物质。HIV-1-RT抑制定义为IC ₅₀: 22.83 微克/毫升。苯甲酸、香草醛、芦丁和绿原酸作为主要酚类物质的含量分别为 621.96、505.87、349.33 和 323.23 µg 酚类/g 提取物。此外，TPC、DPPH 和 FRAP 按 151.69 mg GAE/g 提取物、23.77 µg/ml 和 445.7 µmol TE/g 提取物的顺序计算。绿原酸 (-8.48 kcal/mol) 被发现是对接研究中最有效的配体，其值接近阳性标准奈韦拉平 (-9.35 kcal/mol)。因此，虽然S. spigera的水提物可用作天然抗氧化剂，但其粗提物或其酚类物质由于其高 HIV-1-RT 活性而具有用于治疗艾滋病的潜力。

更新日期：2021-09-03

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11