Activation Effect of 2-β-hydroxy manoyl oxide isolated from Sideritis perfoliata on Carbonic anhydrases isoenzymes I and II

Q2 Pharmacology, Toxicology and Pharmaceutics Current Bioactive Compounds Pub Date : 2023-06-19 DOI:10.2174/1573407219666230619110205
Huseyin Aksit, A. Rasul, Ş. Adem, Çağlar Güler, I. Demirtaş
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Abstract

Sideritis species were used for the treatment of mental disorders such as Alzheimer’s and dementia traditionally in Turkey. Several in vivo studies report that the mid-polar extract of Sideritis species can develop the brain functions of mice. 2-β-hydroxy manoyl oxide, isolated from ethyl acetate extract of Sideritis perfoliata, was assayed in vitro and in silico on human erythrocytes CA I and CA II. The compound was found to be an activator on two isoenzymes. It has been reported that activators of carbonic anhydrases may be used as a novel approach to treating disorders such as Alzheimer’s and age-related diseases. This study aimed to investigate the activity effect of 2-β-hydroxy manoyl oxide in vitro and in silico on human erythrocytes CA I and CA II (hCA I and hCA II) and to elucidate its pharmacokinetic and physicochemical characteristics. The test compound was isolated from ethyl acetate extract of Sideritis perfoliata using chromatographic techniques and identified with spectroscopic evidence. Carbonic anhydrase activities were assayed using CO2 substrates. Docking studies were carried out with Molegro Virtual Docker. The compound underwent ADME-Tox prediction by using AdmetSAR and SwissADME software. 2-β-hydroxy manoyl oxide was found to increase the hCA-l and hCAII activity with AC50 values 9 and 19 µM, respectively. These results were further confirmed in silico molecular modeling. It showed favorable pharmacokinetic and physicochemical characteristics as a new drug candidate. These findings demonstrated that 2-β-hydroxy manoyl oxide activated the hCA-l and hCA II. These results provide a novel and alternative activator for the carbonic anhydrase and confirm the traditional usage of the Sideritis perfoliata.
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perfoliata Sideritis 2-β- hydroxymanoyl oxide对碳酸酐酶同工酶I和II的活化作用
传统上,在土耳其,黄疸病被用于治疗精神障碍,如阿尔茨海默氏症和痴呆症。几项体内研究报道,黄芪属植物的中极提取物可以发展小鼠的脑功能。研究了从perfoliata Sideritis乙酸乙酯提取物中分离得到的2-β-羟基manoyl氧化物对人红细胞CA I和CA II的体外和体外作用。该化合物被发现是两种同工酶的激活剂。据报道,碳酸酐酶的激活剂可能被用作治疗阿尔茨海默病和年龄相关疾病等疾病的新方法。本研究旨在探讨2-β-羟基环氧酚对人红细胞CA I和CA II (hCA I和hCA II)体外和硅体内的活性作用,并阐明其药代动力学和理化特性。用色谱技术从叶面黄芪的乙酸乙酯提取物中分离得到该化合物,并进行了光谱鉴定。用CO2底物测定碳酸酐酶活性。使用Molegro虚拟码头进行对接研究。利用AdmetSAR和SwissADME软件对化合物进行ADME-Tox预测。结果表明,2-β-羟基壬基氧化物可提高hca - 1和hCAII活性,其AC50值分别为9和19µM。这些结果在硅分子模型中得到了进一步的证实。它具有良好的药动学和理化特性,是一种新的候选药物。这些结果表明,2-β-羟基壬基氧化物激活了hCA- 1和hCA- II。这些结果为碳酸酐酶提供了一种新的和可替代的活化剂,并证实了perfoliata的传统用法。
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来源期刊
Current Bioactive Compounds
Current Bioactive Compounds Pharmacology, Toxicology and Pharmaceutics-Pharmacology, Toxicology and Pharmaceutics (all)
CiteScore
1.90
自引率
0.00%
发文量
112
期刊介绍: The journal aims to provide comprehensive review articles on new bioactive compounds with proven activities in various biological screenings and pharmacological models with a special emphasis on stereoeselective synthesis. The aim is to provide a valuable information source of bioactive compounds synthesized or isolated, which can be used for further development of pharmaceuticals by industry and academia. The journal should prove to be essential reading for pharmacologists, natural product chemists and medicinal chemists who wish to be kept informed and up-to-date with the most important developments on new bioactive compounds of natural or synthetic origin, including their stereoeselective synthesis.
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