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火焰树(Leptadenia pyrotechnica(Forssk.)Decne)的化学多样性、生物活性及分子对接研究:验证其药用价值的综合方法。

Chemodiversity, Biological Activities and Molecular Docking Studies of Leptadenia pyrotechnica (Forssk.) Decne: A Comprehensive Approach to Validate Its Medicinal Use.

机构信息

Division of Organic Chemistry, Institute of Chemistry, Baghdad-ul-Jadeed Campus, The Islamia University of Bahawalpur, 63100, Bahawalpur, Pakistan.

Department of Chemistry, Government Sadiq Women College University, Bahawalpur, 63100, Bahawalpur, Pakistan.

出版信息

Chem Biodivers. 2022 May;19(5):e202100884. doi: 10.1002/cbdv.202100884. Epub 2022 Mar 29.

DOI:10.1002/cbdv.202100884
PMID:35307950
Abstract

Leptadenia pyrotechnica (Forssk.) Decne is growing in Cholistan desert, and is known for its laxative, analgesic, anabolic and astringent, antioxidant, anti-inflammatory, antibacterial, antitumor, hypolipidemic and antiatherosclerotic properties. The present study disclosed the metabolic picture of L. pyrotechnica and validates its folk uses. LP-H fraction constitute 25.79±0.11 mgGAE/g extract and 20.64±0.33 mgRE/g extract of phenolic and flavonoid content, respectively, followed by LP-E (23.15±0.33 mgGAE/g extract and 19.40±0.13 mgRE/g extract), however, LP-E exhibited the highest free radical scavenging (DPPH: 21.05±0.45mgTE/g and ABTS: 68.12±0.53 mgTE/g) and metal reducing (FRAP: 44.93±1.66, CUPRAC: 117.42±1.28 mgTE/g, respectively) activities. The total antioxidant capacity in Phosphomolybdenum assay (1.52±0.14 mmolTE/g) and ferrous ion chelating (11.57±0.29 mgEDTAE/g) activities were observed highest for LP-H extract. In cholinesterase's inhibitory assays, the LP-E and LP-W extracts exhibited inhibitory values as 2.43 and 2.40±0.07 mgGALAE/g extract, respectively against AChE, while against BChE the LP-H displayed the highest value as 5.98±0.44 mgGALAE/g extract. The LP-H fraction also showed the highest inhibition potential (7.72±0.14 mmol ACAE/g and 0.55±0.01 mmol ACAE/g, respectively) against α-glucosidase and α-amylase enzymes, while, in tyrosinase inhibitory assay, all the fractions exhibited significant activities in the range of 59.35±0.29 to 55.18±0.49 mgKAE/g extract. RP-UHPLC/MS analysis of LP-M disclosed the presence of 57 metabolites of various classes. A multivariate analysis and molecular docking study was also carried out to establish relationships between the metabolites and the biological activities, which finally validate the use of L. pyrotechnica as herbal medicine or component nutraceutical, food and cosmetic industry.

摘要

拉坦尼定(Forssk.)Decne 生长在 Cholistan 沙漠中,具有通便、镇痛、同化和收敛、抗氧化、抗炎、抗菌、抗肿瘤、降血脂和抗动脉粥样硬化的特性。本研究揭示了拉坦尼定的代谢特征,并验证了其民间用途。LP-H 级分分别含有 25.79±0.11mgGAE/g 提取物和 20.64±0.33mgRE/g 提取物的酚类和类黄酮含量,其次是 LP-E(23.15±0.33mgGAE/g 提取物和 19.40±0.13mgRE/g 提取物),但 LP-E 表现出最高的自由基清除(DPPH:21.05±0.45mgTE/g 和 ABTS:68.12±0.53mgTE/g)和金属还原(FRAP:44.93±1.66,CUPRAC:117.42±1.28mgTE/g)活性。在磷钼酸盐测定中的总抗氧化能力(1.52±0.14mmolTE/g)和亚铁离子螯合(11.57±0.29mgEDTAE/g)活性在 LP-H 提取物中最高。在胆碱酯酶抑制试验中,LP-E 和 LP-W 提取物对 AChE 的抑制值分别为 2.43 和 2.40±0.07mgGALAE/g 提取物,而 LP-H 对 BChE 的抑制值最高,为 5.98±0.44mgGALAE/g 提取物。LP-H 级分对 α-葡萄糖苷酶和 α-淀粉酶的抑制潜力也最高(分别为 7.72±0.14mmolACA/g 和 0.55±0.01mmolACA/g),而在酪氨酸酶抑制试验中,所有级分均表现出 59.35±0.29 至 55.18±0.49mgKAE/g 提取物的显著活性。LP-M 的 RP-UHPLC/MS 分析揭示了各种类别的 57 种代谢产物的存在。还进行了多变量分析和分子对接研究,以建立代谢物与生物活性之间的关系,最终验证了拉坦尼定作为草药或成分营养保健品、食品和化妆品行业的用途。

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