麻辣肉桂成分对CYP450 17α和CYP450 19(芳香化酶)的GC-MS分析和计算机对接——高雄激素血症的关键靶点。

IF 1.7 Q3 PHARMACOLOGY & PHARMACY Drug Research Pub Date : 2023-10-01 Epub Date: 2023-08-17 DOI:10.1055/a-2142-5774
V Soumya, S Deepa, Knolin K Thachil, J Saravanan, R Hariprasad
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引用次数: 0

摘要

多囊卵巢综合征(PCOS)被认为是影响6-20%育龄妇女的常见激素疾病之一,其特征包括无排卵性不孕、高雄激素血症、囊性卵泡和胰岛素抵抗。CYP基因在多囊卵巢综合征相关高雄激素血症的病理生理学中起着重要作用。据报道,由于CYP450 17α:。在几个高雄激素性多囊卵巢综合征患者中观察到芳香化酶(CYP450 19)水平降低。用索氏提取法对麻辣肉桂的粉末状叶物质进行提取。对植物提取物进行气相色谱-质谱分析(GC-MS),获得的色谱图首次揭示了活性化学成分如1(10),9(11)-B-高羊毛烯二烯和其他潜在化合物的存在。提出了一种假说来解释马拉巴特兰植物成分对这些酶靶点的有效性,这可能是治疗和维持多囊卵巢综合征相关高雄激素血症的一种新的候选药物。因此,使用计算方法对马拉巴特姆肉桂叶提取物进行的计算机研究结果表明,这些植物成分对选定的两个关键靶标具有良好的亲和力。ADME和PASS对活性植物成分高羊毛甾二烯、β-谷甾醇、环戊烯醇和吡唑衍生物进行了研究,结果揭示了利平斯基的药物相似性和药理潜力。总之,这项工作为活性植物成分结合两种活性CYP45017α和CYP45019芳香化酶的可能性提供了新的见解,这有助于开发与多囊卵巢综合征相关的高雄激素血症的新化合物。
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GC-MS analysis and in silico docking of constituents of Cinnamomum malabatrum against CYP450 17α and CYP450 19 (Aromatase)- Key targets for hyperandrogenism.

Poly cystic ovary syndrome (PCOS) is considered as one of the common hormonal disorders affecting 6-20% of women in their reproductive age with characteristic features include anovulatory infertility, hyperandrogenism, cystic follicles and insulin resistance. The gene CYP play an important role in pathophysiology of hyperandrogenism associated with PCOS. An elevated androgens are reported in PCOS condition due to overexpression of the enzyme CYP450 17 α: . As well as diminished levels of aromatase (CYP450 19) were observed in several hyperandrogenic PCOS patients. The powdered leafy material of Cinnamomum malabatrum was subjected to Soxhlet extraction. The plant extract was subjected to Gas chromatography-MS analysis (GC-MS), and the chromatogram obtained revealed the presence of active chemical constituents like 1(10),9(11)-B-Homolanistadiene for the first time and other potential compounds. Hypothesis has raised to interpret the efficiency of phytoconstituents of Cinnamomum malabatrum on these enzyme targets and which may be a novel drug candidate for the treatment and maintenance of hyperandrogenism associated with PCOS. Thus, the results obtained from the in-silico study of Cinnamomum malabatrum leaf extract using computational approaches indicate that the phytoconstituents have good affinities for the selected two key targets. ADME and PASS studies has been performed for active phytoconstituents homolanistadiene, β-sitosterol, cycloartenol and a pyrazole derivative, and results revealed the Lipinski drug-likeness and pharmacological potential. In conclusion, this work throws a new insight into the possibility of the active phytoconstituents on binding the two active CYP45017 α and CYP45019 aromatase enzymes which facilitates development of novel compounds for hyperandrogenism associated with PCOS.

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来源期刊
Drug Research
Drug Research PHARMACOLOGY & PHARMACY-
CiteScore
3.50
自引率
0.00%
发文量
67
期刊介绍: Drug Research (formerly Arzneimittelforschung) is an international peer-reviewed journal with expedited processing times presenting the very latest research results related to novel and established drug molecules and the evaluation of new drug development. A key focus of the publication is translational medicine and the application of biological discoveries in the development of drugs for use in the clinical environment. Articles and experimental data from across the field of drug research address not only the issue of drug discovery, but also the mathematical and statistical methods for evaluating results from industrial investigations and clinical trials. Publishing twelve times a year, Drug Research includes original research articles as well as reviews, commentaries and short communications in the following areas: analytics applied to clinical trials chemistry and biochemistry clinical and experimental pharmacology drug interactions efficacy testing pharmacodynamics pharmacokinetics teratology toxicology.
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