Gupta Neha, Bhattacharya Soham, Urbanová Klára, Dutta Adrish, Hazra Alok Kumar, Fernández-Cusimamani Eloy, Leuner Olga
Department of Crop Sciences and Agroforestry, Faculty of Tropical AgriSciences, Czech University of Life Sciences Prague, Kamýcká 129, Suchdol, 165 00 Prague 6, Czech Republic.
Department of Agroecology and Crop Production, Faculty of Agrobiology, Food and Natural Resources, Czech University of Life Sciences Prague, Kamýcká 129, Prague 6 - Suchdol, 165 00, Czech Republic.
Heliyon. 2023 Nov 17;9(12):e22480. doi: 10.1016/j.heliyon.2023.e22480. eCollection 2023 Dec.
Essential oils (EOs) from Indian spices like (L.) Maton (small green cardamom), (L.) Merr. & L.M. Perry (clove), Blume (cinnamon quills), and (Buch.-Ham.) T. Nees & C. H. Eberm (Indian bay leaves) exhibit a broad spectrum range of biological activity including antibacterial and antifungal activity. Yet, there is a lack of data regarding the antimicrobial activity of their formulations. Also, the link between the antimicrobial effect of individual EO with their chemical composition and molecular interaction with bacterial pathogens has not been systematically explored. Therefore, the objectives of the current study were to evaluate the antimicrobial activity and phytochemical characterization of EOs and to bridge the gap between them through in-silico molecular interactions. The antibacterial activity of EOs of four different spices and their formulations against foodborne pathogens such as , , , and was evaluated using the disc volatilization method. The chemical profile of the individual EO was determined through GC-MS analysis and molecular interactions of identified major components with bacterial proteins were carried out through molecular docking studies. All EOs and their formulations exhibited antibacterial activity ranging from 5.92 to 24.55 mm and 11-23.52 mm, respectively. Among all EOs, cinnamon and formulation C (cardamom: cinnamon- 2:1) exhibited the highest antibacterial activity. The composition of the EOs included sesquiterpenes, monoterpenoids, monoterpenes, and, phenylpropanoids such as (E)-cinnamaldehyde, δ-cadinene, α-copaene, eugenol, caryophyllene, eugenol acetate, methyl eugenol, menthadiene, eucalyptol, α-terpinyl acetate, and sabinene. Furthermore, docking study revealed that the abundant compounds from cinnamon EO mainly α-copaene and δ-cadinene had a high binding affinity towards the bacterial essential proteins which increases the bacterial susceptibility towards cinnamon EO. The selected EOs and their formulations were systematically analysed and they were effective against foodborne pathogens. The current findings suggest the application of these EOs against food pathogens with further research.
来自印度香料如小豆蔻（Elettaria cardamomum (L.) Maton）、丁香（Syzygium aromaticum (L.) Merr. & L.M. Perry）、桂皮（Cinnamomum zeylanicum Blume）和印度月桂叶（Cinnamomum tamala (Buch.-Ham.) T. Nees & C. H. Eberm）的精油（EOs）具有广泛的生物活性，包括抗菌和抗真菌活性。然而，关于其制剂抗菌活性的数据却很缺乏。此外，单一精油的抗菌效果与其化学成分以及与细菌病原体的分子相互作用之间的联系尚未得到系统研究。因此，本研究的目的是评估精油的抗菌活性和植物化学特征，并通过计算机模拟分子相互作用来弥合它们之间的差距。使用纸片挥发法评估了四种不同香料的精油及其制剂对食源性病原体如金黄色葡萄球菌、大肠杆菌、单核细胞增生李斯特菌和肠炎沙门氏菌的抗菌活性。通过气相色谱 - 质谱（GC - MS）分析确定了单一精油的化学图谱，并通过分子对接研究对已鉴定的主要成分与细菌蛋白质的分子相互作用进行了研究。所有精油及其制剂的抗菌活性范围分别为5.92至24.55毫米和11至23.52毫米。在所有精油中，桂皮精油和制剂C（小豆蔻：桂皮 - 2:1）表现出最高的抗菌活性。精油的成分包括倍半萜、单萜类化合物、单萜、以及苯丙素类化合物，如（E）-肉桂醛、δ-杜松烯、α-可巴烯、丁香酚、石竹烯、乙酸丁香酚酯、甲基丁香酚、薄荷二烯、桉叶油素、乙酸α-萜品酯和桧烯。此外，对接研究表明，桂皮精油中的丰富化合物主要是α-可巴烯和δ-杜松烯，它们对细菌必需蛋白具有高结合亲和力，这增加了细菌对桂皮精油的敏感性。对所选精油及其制剂进行了系统分析，它们对食源性病原体有效。目前的研究结果表明，这些精油在进一步研究后可应用于对抗食品病原体。
