Reda Eman H, Shakour Zienab T Abdel, El-Halawany Ali M, El-Kashoury El-Sayeda A, Shams Khaled A, Mohamed Tarik A, Saleh Ibrahim, Elshamy Abdelsamed I, Atia Mohamed A M, El-Beih Ahmed A, Abdel-Azim Nahla S, El-Seedi Hesham R, Hegazy Mohamed-Elamir F
Phytochemistry Laboratory, National Organization for Drug Control and Research, Giza 12622, Egypt.
Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt.
Antibiotics (Basel). 2021 Mar 3;10(3):252. doi: 10.3390/antibiotics10030252.
The genus is recognized in folk medicine for anti-inflammatory, anti-itch, antitussive, purgative, astringent, and tonic activities. To study the chemical determinant for antimicrobial activity essential oils (EOs), five species were analyzed including: , , , and . Conventional hydro-distillation (HD) and microwave-assisted extraction (MAE), as new green technologies, were compared for the extraction of essential oils. GC/MS analysis identified 120 EOs including mostly terpenoid except from and in which nonterpenoids were the major constituents. Major terpenoids included spathulenol, caryophyllene oxide and alloaromadendrene oxide-2. To probe antibacterial activity, potential EO inhibitors of a bacterial type II DNA topoisomerase, DNA gyrase B were screened via an in silico molecular docking approach. Spathulenol and alloaromadendrene oxide-2 possessed the best binding affinity in the ATP- binding pocket of Gyrase B enzyme. Principal component analysis and agglomerative hierarchical clustering were used for sample classification and revealed that sesquiterpenes contributed the most for accessions classification. In vitro antimicrobial activity against , and for all EOs were also evaluated. EOs from , and exhibited significant MIC against with an MIC value of 31.25 µg/mL.
该属植物在民间医学中因具有抗炎、止痒、镇咳、泻下、收敛和滋补活性而闻名。为了研究抗菌活性精油（EOs）的化学决定因素，对五个物种进行了分析，包括：[具体物种1]、[具体物种2]、[具体物种3]、[具体物种4]和[具体物种5]。比较了传统水蒸馏（HD）和微波辅助萃取（MAE）这两种新型绿色技术用于精油提取的效果。气相色谱/质谱（GC/MS）分析鉴定出120种精油，其中大多数为萜类化合物，但[具体物种1]和[具体物种2]除外，在这两个物种中，非萜类化合物是主要成分。主要萜类化合物包括匙叶桉油烯醇、氧化石竹烯和氧化别香树烯-2。为了探究抗菌活性，通过计算机模拟分子对接方法筛选了细菌II型DNA拓扑异构酶DNA促旋酶B的潜在EO抑制剂。匙叶桉油烯醇和氧化别香树烯-2在促旋酶B酶的ATP结合口袋中具有最佳结合亲和力。主成分分析和凝聚层次聚类用于样本分类，结果表明倍半萜对样本分类贡献最大。还评估了所有EOs对[具体细菌1]、[具体细菌2]和[具体细菌3]的体外抗菌活性。来自[具体物种1]、[具体物种2]和[具体物种3]的EOs对[具体细菌1]表现出显著的最低抑菌浓度（MIC），MIC值为31.25μg/mL。
