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芳香数据库:一个包含药用和芳香植物香气分子及其植物化学和治疗潜力的数据库。

AromaDb: A Database of Medicinal and Aromatic Plant's Aroma Molecules With Phytochemistry and Therapeutic Potentials.

作者信息

Kumar Yogesh, Prakash Om, Tripathi Himanshu, Tandon Sudeep, Gupta Madan M, Rahman Laiq-Ur, Lal Raj K, Semwal Manoj, Darokar Mahendra Pandurang, Khan Feroz

机构信息

Department of Metabolic and Structural Biology, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow, India.

Department of Process Chemistry and Chemical Engineering, CSIR-Central Institute of Medicinal and Aromatic Plants, Lucknow, India.

出版信息

Front Plant Sci. 2018 Aug 13;9:1081. doi: 10.3389/fpls.2018.01081. eCollection 2018.

DOI:10.3389/fpls.2018.01081
PMID:30150996
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6099104/
Abstract

In traditional, herbal medicine, and aromatherapy, use of essential oils and their aroma compounds have been known since long, for the management of various human diseases. The essential oil is a mixture of highly complex, naturally occurring volatile aroma compounds synthesized by medicinal and aromatic plants as secondary metabolites. Essential oils widely used in pharmaceutical, cosmetic, sanitary, food industry and agriculture for their antibacterial, antiviral, antifungal, antiparasitic, insecticidal, anticancer, neuroprotective, psychophysiological, and anti-aging activities. Moreover, volatile aroma compounds comprise a chemically diverse class of low molecular weight organic compounds with significant vapor pressure. However, aroma compounds produced by plants, mainly attract pollinators, seed dispersers and provide defense against pests or pathogens. However, in humans, about 300 active olfactory receptor genes are involved to detect thousands of different aroma compounds and modulates expression of different metabolic genes regulating human psychophysiological activity, brain function, pharmacological signaling, and therapeutic potential. Keeping in mind this importance, present database, namely, AromaDb (http://bioinfo.cimap.res.in/aromadb/) covers information of plant varieties/chemotypes, essential oils, chemical constituents, GC-MS profile, yield variations due to agro-morphological parameters, trade data, aroma compounds, fragrance type, and bioactivity details. The database includes 1,321 aroma chemical structures, bioactivities of essential oil/aroma compounds, 357 fragrance type, 166 commercially used plants, and their high yielding 148 varieties/chemotypes. Also includes calculated cheminformatics properties related to identification, physico-chemical properties, pharmacokinetics, toxicological, and ecological information. Also comprises interacted human genes affecting various diseases related cell signaling pathways correlating the use of aromatherapy. This database could be a useful resource to the plant's growers/producers, an aroma/fragrance industrialist, health professionals, and researchers exploring the potential of essential oils and aroma compounds in the development of novel formulations against human diseases.

摘要

在传统医学、草药医学和芳香疗法中,精油及其芳香化合物的使用由来已久,用于治疗各种人类疾病。精油是由药用和芳香植物合成的高度复杂的天然挥发性芳香化合物的混合物,作为次生代谢产物。精油因其抗菌、抗病毒、抗真菌、抗寄生虫、杀虫、抗癌、神经保护、心理生理和抗衰老活性而广泛应用于制药、化妆品、卫生、食品工业和农业。此外,挥发性芳香化合物是一类化学性质多样的低分子量有机化合物,具有显著的蒸气压。然而,植物产生的芳香化合物主要用于吸引传粉者、种子传播者,并抵御害虫或病原体。然而,在人类中,约300个活跃的嗅觉受体基因参与检测数千种不同的芳香化合物,并调节不同代谢基因的表达,从而调节人类的心理生理活动、脑功能、药理信号和治疗潜力。鉴于其重要性,目前的数据库AromaDb(http://bioinfo.cimap.res.in/aromadb/)涵盖了植物品种/化学型、精油、化学成分、气相色谱-质谱图谱、由于农业形态参数导致的产量变化、贸易数据、芳香化合物、香味类型和生物活性细节等信息。该数据库包括1321种芳香化学结构、精油/芳香化合物的生物活性、357种香味类型、166种商业用途植物及其高产的148个品种/化学型。还包括与鉴定、物理化学性质、药代动力学、毒理学和生态信息相关的计算化学信息学性质。还包括影响各种疾病相关细胞信号通路的相互作用人类基因,这些通路与芳香疗法的使用相关。该数据库对于植物种植者/生产者、香料/香精行业人士、健康专业人员以及探索精油和芳香化合物在开发抗人类疾病新配方中的潜力的研究人员来说,可能是一个有用的资源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/707d4ffeff53/fpls-09-01081-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/fffae76d85a0/fpls-09-01081-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/707d4ffeff53/fpls-09-01081-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/fffae76d85a0/fpls-09-01081-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/a107c8a05eae/fpls-09-01081-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/5e3ec9a0cc37/fpls-09-01081-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/edb0/6099104/707d4ffeff53/fpls-09-01081-g004.jpg

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