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https://www.readbyqxmd.com/read/28339201/high-throughput-in-silico-structure-validation-and-revision-of-halogenated-natural-products-is-enabled-by-parametric-corrections-to-dft-computed-13-c-nmr-chemical-shifts-and-spin-spin-coupling-constants
#1
Andrei G Kutateladze, D Sai Reddy
Halogenated natural products constitute diverse and promising feedstock for molecular pharmaceuticals. However, their solution-structure elucidation by NMR presents several challenges, including the lack of fast methods to compute (13)C chemical shifts for carbons bearing heavy atoms. We show that parametric corrections to DFT-computed chemical shifts in conjunction with rff-computed spin-spin coupling constants allow for fast and reliable screening of a large number of reported halogenated natural products, resulting in expedient structure validation or revision...
March 24, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28333111/solanesol-biosynthesis-in-plants
#2
REVIEW
Ning Yan, Yanhua Liu, Hongbo Zhang, Yongmei Du, Xinmin Liu, Zhongfeng Zhang
Solanesol is a non-cyclic terpene alcohol composed of nine isoprene units that mainly accumulates in solanaceous plants. Solanesol plays an important role in the interactions between plants and environmental factors such as pathogen infections and moderate-to-high temperatures. Additionally, it is a key intermediate for the pharmaceutical synthesis of ubiquinone-based drugs such as coenzyme Q10 and vitamin K2, and anti-cancer agent synergizers such as N-solanesyl-N,N'-bis(3,4-dimethoxybenzyl) ethylenediamine (SDB)...
March 23, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28330322/de-novo-transcriptome-sequencing-in-monsonia-burkeana-revealed-putative-genes-for-key-metabolic-pathways-involved-in-tea-quality-and-medicinal-value
#3
Adugna A Woldesemayat, Khayalethu Ntushelo, David M Modise
Monsonia (Monsonia burkeana Planch. ex Harv) is one of the most valuable tea and traditional medicinal plants used in Southern Africa. In spite of this, there is no sequence information regarding this plant in literature. To provide understanding of the naturally occurring tea and drug-specific products and the key pathways for the biosynthesis of these molecules, we sequenced the leaf transcriptome using Illumina MiSeq platform and generated 2,590,652 paired-end reads that were assembled de novo into 45,450 high-quality transcripts...
December 2016: 3 Biotech
https://www.readbyqxmd.com/read/28326842/two-new-terpenoids-from-kalimeris-indica
#4
Guo-Kai Wang, Yang Yu, Zheng Wang, Bai-Xiang Cai, Zhong-Yu Zhou, Gang Wang, Jin-Song Liu
A new nor-sesquiterpene kalimeristone A (1), a new nor-triterpenoid kalimerislactone B (2) and eight known compounds 7-hydroxy-4'methoxyisoflavone (3), episyringaresinol (4), epipinoresinol (5), rhamnetin (6), vanillin (7), p-hydroxybenzaldehyde (8), syringic acid (9) and 3, 4-dihydroxybenzaldehyde (10) were isolated from the herbs of Kalimeris indica. The structures of these compounds were elucidated using spectroscopic techniques, such as NMR and MS. All of the compounds were isolated from this genus for the first time...
March 22, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28317412/bioactivity-guided-isolation-of-cytotoxic-terpenoids-and-steroids-from-premna-serratifolia
#5
Mahesh Biradi, Kirankumar Hullatti
CONTEXT: Despite several phytochemical studies of Premna serratifolia Linn. (Verbenaceae), the isolation of active constituents of this plant remains to be explored. OBJECTIVE: The study isolates cytotoxic terpenoids and steroids from the leaves of Premna serratifolia. MATERIALS AND METHODS: Unsaponifiable matter of hexane soluble fraction obtained from methanol extract was subjected to isolation by column chromatography and preparative TLC...
December 2017: Pharmaceutical Biology
https://www.readbyqxmd.com/read/28302224/-advances-in-the-research-of-the-regulation-of-chinese-traditional-medicine-monomer-and-its-derivatives-on-autophagy-in-non-small-cell-lung-cancer
#6
Meiyi Xiang, Ruilei Li, Zhiwei Zhang, Xin Song
The high morbidity and mortality of non-small cell lung cancer (NSCLC) did influence the quality of life of tumor patients world-wide. There is an urgent need to develop new therapies that have high anti-tumor activity and low toxicity side effects. It is widely accepted that autophagy can play diverse roles in carcinogenesis, such as induces pro-death of lung cancer cells or helps the escape from cell death, making it become a proper anticancer target. It's believed that various monomers of Chinese traditional medicine closely correlates to anti-NSCLC activities, and that even could affect the acquired multiple drug resistance (MDR)...
March 20, 2017: Zhongguo Fei Ai za Zhi, Chinese Journal of Lung Cancer
https://www.readbyqxmd.com/read/28299544/biotechnology-of-the-medicinal-plant-rhazya-stricta-a-little-investigated-member-of-the-apocynaceae-family
#7
REVIEW
Amir Akhgari, Kirsi-Marja Oksman-Caldentey, Heiko Rischer
Rhazya stricta Decne. (Apocynaceae) is an important medicinal plant that is widely distributed in the Middle East and Indian sub-continent. It produces a large number of terpenoid indole alkaloids (TIAs) some of which possess important pharmacological properties. However, the yields of these compounds are very low. Establishment of a reliable, reproducible and efficient transformation method and induction of hairy roots system is a vital prerequisite for application of biotechnology in order to improve secondary metabolite yields...
March 15, 2017: Biotechnology Letters
https://www.readbyqxmd.com/read/28296157/terpenoids-and-more-polar-compounds-from-the-male-cones-of-wollemia-nobilis
#8
Alessandro Venditti, Claudio Frezza, Fabio Sciubba, Sebastiano Foddai, Mauro Serafini, Armandodoriano Bianco
The analysis of metabolites contained in the male cones of Wollemia nobilis was investigated for the first time in this study. Several diterpenoids of chemosystematic relevance were recognized for the first time from the genus and/or from the Araucariaceae family, namely isocupressic acid (1), acetyl-isocupressic acid (2), methyl (E)-communate (3) and sandaracopimaric acid (4). All these terpenoids are also endowed with interesting biological activities and may play a primary role in the self defence toward herbivores...
October 13, 2016: Chemistry & Biodiversity
https://www.readbyqxmd.com/read/28294059/phytochemical-screening-alpha-glucosidase-inhibition-antibacterial-and-antioxidant-potential-of-ajuga-bracteosa-extracts
#9
Kokab Hafeez, Saiqa Andleeb, Tahseen Ghousa, Kalsoom Akhter
BACKGROUND: Ajuga bracteosa, a medicinal herb, used by local community to cure a number of diseases such as inflammation, jaundice bronchial asthma, cancer and diabetes. OBJECTIVES: The aim of present work was to evaluate the antioxidant potential, in vitro antidiabetic and antimicrobial effects of A. bracteosa. METHODS: n-hexane, ethyl acetate, chloroform, acetone, methanol and aqueous extracts of Ajuga bracteosa roots, were prepared via maceration...
March 12, 2017: Current Pharmaceutical Biotechnology
https://www.readbyqxmd.com/read/28292659/reassessing-escherichia-coli-as-a-cell-factory-for-biofuel-production
#10
REVIEW
Chonglong Wang, Brian F Pfleger, Seon-Won Kim
Via metabolic engineering, industrial microorganisms have the potential to convert renewable substrates into a wide range of biofuels that can address energy security and environmental challenges associated with current fossil fuels. The user-friendly bacterium, Escherichia coli, remains one of the most frequently used hosts for demonstrating production of biofuel candidates including alcohol-, fatty acid- and terpenoid-based biofuels. In this review, we summarize the metabolic pathways for synthesis of these biofuels and assess enabling technologies that assist in regulating biofuel synthesis pathways and rapidly assembling novel E...
March 11, 2017: Current Opinion in Biotechnology
https://www.readbyqxmd.com/read/28290512/chemometric-analysis-reveals-links-in-the-formation-of-fragrant-bio-molecules-during-agarwood-aquilaria-malaccensis-and-fungal-interactions
#11
Supriyo Sen, Madhusmita Dehingia, Narayan Chandra Talukdar, Mojibur Khan
Fragrant agarwood, arguably the costliest wood in the world, is formed by plant-fungal interactions in Aquilaria spp. However, very little is known about this fragrant outcome of interaction. Therefore, mimicking the ancient traditions of agarwood production in Assam (Northeast India), a chemometric assessment of the agarwood-fungus interaction was made by chemical profiling (GC-MS) coupled with statistical analysis (principal component, correlation network analysis) across three platforms, viz. callus, juvenile plants and resinous wood-chips with an associated Fusarium...
March 14, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28290284/uhplc-ms-2-based-approach-for-the-comprehensive-metabolite-profiling-of-bean-vicia-faba-l-by-products-a-promising-source-of-bioactive-constituents
#12
Ibrahim M Abu-Reidah, David Arráez-Román, Ismail Warad, Alberto Fernández-Gutiérrez, Antonio Segura-Carretero
Today, by-products generated from the agro-industrial practices are considered a key source of bioactive and functional components, that can be used for their nutritional and added value properties. New aspects concerning the use of these wastes as by-products in food production additives or supplements with high nutritional and medicinal value have gained substantial interest, due to their possession of economically high-value products. In this sense, the present study describes a thorough characterization of phytochemical compounds from hydro-methanolic extract of broad beans testa by using ultra-high performance liquid chromatography (UHPLC) hyphenated with quadrupole-time-of-flight tandem mass spectrometry (QTOF-MS)...
March 2017: Food Research International
https://www.readbyqxmd.com/read/28285413/comprehensive-assessment-of-the-genes-involved-in-withanolide-biosynthesis-from-withania-somnifera-chemotype-specific-and-elicitor-responsive-expression
#13
Aditya Vikram Agarwal, Parul Gupta, Deeksha Singh, Yogeshwar Vikram Dhar, Deepak Chandra, Prabodh Kumar Trivedi
Withania somnifera (L.) Dunal (Family, Solanaceae), is among the most valuable medicinal plants used in Ayurveda owing to its rich reservoir of pharmaceutically active secondary metabolites known as withanolides. Withanolides are C28-steroidal lactones having a triterpenoidal metabolic origin synthesised via mevalonate (MVA) pathway and methyl-D-erythritol-4-phosphate (MEP) pathway involving metabolic intermediacy of 24-methylene (C30-terpenoid) cholesterol. Phytochemical studies suggest differences in the content and/or nature of withanolides in different tissues of different chemotypes...
March 11, 2017: Functional & Integrative Genomics
https://www.readbyqxmd.com/read/28279699/metabolic-engineering-for-the-microbial-production-of-marine-bioactive-compounds
#14
REVIEW
Xiangzhao Mao, Zhen Liu, Jianan Sun, Sang Yup Lee
Many marine bioactive compounds have medicinal and nutritional values. These bioactive compounds have been prepared using solvent-based extraction from marine bio-resources or chemical synthesis, which are costly, inefficient with low yields, and environmentally unfriendly. Recent advances in metabolic engineering allowed to some extent more efficient production of these compounds, showing promises to meet the increasing demand of marine natural bioactive compounds. In this paper, we review the strategies and statuses of metabolic engineering applied to microbial production of marine natural bioactive compounds including terpenoids and their derivatives, omega-3 polyunsaturated fatty acids, and marine natural drugs, and provide perspectives...
March 6, 2017: Biotechnology Advances
https://www.readbyqxmd.com/read/28278671/essential-oil-composition-of-inula-britannica-l-from-bulgaria
#15
Milka Todorova, Antoaneta Trendafilova, Viktoria Ivanova, Kalina Danova, Dimitar Dimitrov
The separately distilled flowers (F) and leaves' (L) essential oils of Inula britannica L. were investigated using capillary gas chromatography-flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS). A total of 83 constituents, representing 96.91% (F) and 96.73% (L) of the total oils, were registered. The oils were rich in terpenoids (57.85% and 77.28%), of which sesquiterpenoids dominated. The main constituents of the essential oils were viridiflorol (7.17%-8.20%) and himachalol (3...
February 13, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28278660/a-nor-diterpene-from-salvia-sahendica-leaves
#16
Sahar Mofidi Tabatabaei, Peyman Salehi, Mahdi Moridi Farimani, Markus Neuburger, Maria De Mieri, Matthias Hamburger, Samad Nejad-Ebrahimi
Phytochemical investigation of n-hexane extract of Salvia sahendica by normal phase column chromatography resulted in the isolation of six compounds. Structures were established by 1D and 2D NMR spectroscopy, and HRMS, as a new norditerpene 1, and known terpenoids, sclareol (2), oleanolic acid (3), β-sitosterol (4), salvigenin (5) and 3α-hydroxy-11α,12α-epoxyoleanan-28,13β-olide (6). The absolute configuration of 1 was confirmed by a combination of X-ray single crystal analysis and electronic circular dichroism spectroscopy...
February 16, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28278622/volatile-components-of-horsetail-hippuris-vulgaris-l-growing-in-central-italy
#17
Kevin Cianfaglione, Fabrizio Papa, Filippo Maggi
Hippuris vulgaris, also known as horsetail or marestail, is a freshwater macrophyte occurring in lakes, rivers, ponds and marshes. According to 'The IUCN Red List of Threatened Species', H. vulgaris is at a high risk of extinction in Italy in the medium-term future. In the present study, we analysed for the first time the volatile composition of H. vulgaris growing in central Italy. For the purpose, the essential oil was obtained by hydrodistillation and analysed by GC-MS. The chemical composition was dominated by aliphatic compounds such as fatty acids (26...
March 3, 2017: Natural Product Research
https://www.readbyqxmd.com/read/28274410/global-volatile-profile-of-virgin-olive-oils-flavoured-by-aromatic-medicinal-plants
#18
R Perestrelo, C Silva, P Silva, J S Câmara
The global volatile profile of commercial virgin olive oils and flavoured olive oils with aromatic/medicinal plants, was established using liquid-liquid microextraction (LLME) and headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-quadrupole mass spectrometry (GC-qMS). More than 60 volatile organic compounds (VOCs belonging to different groups were identified using both methods. Olive oils volatile profile was slightly influenced by maceration process, which occurred at room temperature (20±2°C) for 15days...
July 15, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28273640/phytochemical-analysis-and-differential-in-vitro-cytotoxicity-assessment-of-root-extracts-of-inula-racemosa
#19
Shikha Mohan, Damodar Gupta
The root of Inula racemosa is known for its antifungal, hypolipdemic and antimicrobial properties in traditional Indian Ayurvedic and Chinese system of medicine. The biological efficacy of Inula species is mainly due to the presence sesquiterpene lactone (Isoalantolactone and Alantolactone), which are reported to be inducers of Nrf2 antioxidant pathway. The investigation of properties and efficacy of root extracts of I. racemosa and their comparison was done with a view to find most efficacious extract for use at cellular level (both normal and transformed)...
March 5, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/28272514/transcriptomic-insight-into-terpenoid-and-carbazole-alkaloid-biosynthesis-and-functional-characterization-of-two-terpene-synthases-in-curry-tree-murraya-koenigii
#20
Seema Meena, Sarma Rajeev Kumar, Varun Dwivedi, Anup Kumar Singh, Chandan S Chanotiya, Md Qussen Akhtar, Krishna Kumar, Ajit Kumar Shasany, Dinesh A Nagegowda
Curry tree (Murraya koenigii L.) is a rich source of aromatic terpenes and pharmacologically important carbazole alkaloids. Here, M. koenigii leaf transcriptome was generated to gain insight into terpenoid and alkaloid biosynthesis. Analysis of de novo assembled contigs yielded genes for terpene backbone biosynthesis and terpene synthases. Also, gene families possibly involved in carbazole alkaloid formation were identified that included polyketide synthases, prenyltransferases, methyltransferases and cytochrome P450s...
March 8, 2017: Scientific Reports
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