Phytochemical Characterization and Antioxidant Activity Evaluation for Some Plant Extracts in Conjunction with Pharmacological Mechanism Prediction: Insights into Potential Therapeutic Applications in Dyslipidemia and Obesity

被引：4

作者：

Ilie, Elena Iuliana ^{[1
]}

Popescu, Liliana ^{[1
]}

Luta, Emanuela-Alice ^{[1
]}

Bita, Andrei ^{[2
]}

Corbu, Alexandru Radu ^{[3
]}

Mihai, Dragos Paul ^{[1
]}

Pogan, Ana Corina ^{[1
]}

Balaci, Teodora Dalila ^{[1
]}

Minca, Alexandru ^{[4
]}

Dutu, Ligia Elena ^{[1
]}

Olaru, Octavian Tudorel ^{[1
]}

Boscencu, Rica ^{[1
]}

Gird, Cerasela Elena ^{[1
]}

机构：

[1] Univ Med & Pharm Carol Davila, Fac Pharm, Traian Vuia 6, Bucharest 020956, Romania

[2] Univ Med & Pharm Craiova, Fac Pharm, Dept Pharmacognosy & Phytotherapy, Petru Rares 2, Craiova 200349, Romania

[3] Univ Craiova, Dept Hort & Food Sci, AI Cuza 13, Craiova 200585, Romania

[4] Univ Med & Pharm Carol Davila, Fac Med, Dept Med Semiol, Eroii Sanit 8, Bucharest 050474, Romania

来源：

BIOMEDICINES | 2024年 / 12卷 / 07期

关键词：

hypolipidemic activity; anti-obesity; free radical scavenging activity; UHPLC-MS; heatmap correlation matrix; molecular docking; molecular dynamics; carbonic anhydrase 5A; ROSEMARY ROSMARINUS-OFFICINALIS; LOWERED PLASMA-CHOLESTEROL; CARBONIC-ANHYDRASE-V; FATTY LIVER-DISEASE; FECAL BILE-ACIDS; OXIDATIVE STRESS; APIUM-GRAVEOLENS; PHENOLIC CONTENT; CELERY EXTRACT; LIPID PROFILE;

D O I：

10.3390/biomedicines12071431

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Lipid metabolism dysregulation can lead to dyslipidemia and obesity, which are major causes of cardiovascular disease and associated mortality worldwide. The purpose of the study was to obtain and characterize six plant extracts (ACE-Allii cepae extractum; RSE-Rosmarini extractum; CHE-Cichorii extractum; CE-Cynarae extractum; AGE-Apii graveolentis extractum; CGE-Crataegi extractum) as promising adjuvant therapies for the prevention and treatment of dyslipidemia and its related metabolic diseases. Phytochemical screening revealed that RSE was the richest extract in total polyphenols (39.62 +/- 13.16 g tannic acid/100 g dry extract) and phenolcarboxylic acids (22.05 +/- 1.31 g chlorogenic acid/100 g dry extract). Moreover, the spectrophotometric chemical profile highlighted a significant concentration of flavones for CGE (5.32 +/- 0.26 g rutoside/100 g dry extract), in contrast to the other extracts. UHPLC-MS quantification detected considerable amounts of phenolic constituents, especially chlorogenic acid in CGE (187.435 +/- 1.96 mg/g extract) and rosmarinic acid in RSE (317.100 +/- 2.70 mg/g extract). Rosemary and hawthorn extracts showed significantly stronger free radical scavenging activity compared to the other plant extracts (p < 0.05). Pearson correlation analysis and the heatmap correlation matrix indicated significant correlations between phytochemical contents and in vitro antioxidant activities. Computational studies were performed to investigate the potential anti-obesity mechanism of the studied extracts using target prediction, homology modeling, molecular docking, and molecular dynamics approaches. Our study revealed that rosmarinic acid (RA) and chlorogenic acid (CGA) can form stable complexes with the active site of carbonic anhydrase 5A by either interacting with the zinc-bound catalytic water molecule or by directly binding Zn2+. Further studies are warranted to experimentally validate the predicted CA5A inhibitory activities of RA and CGA and to investigate the hypolipidemic and antioxidant activities of the proposed plant extracts in animal models of dyslipidemia and obesity.

引用

页数：30