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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Natural Products Chemistry".

Deadline for manuscript submissions: closed (31 July 2019) | Viewed by 44049

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Dr. Brendan M Duggan

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Guest Editor

Skaggs School of Pharmacy and Pharmaceutical Science, University of California, San Diego, CA, USA
Interests: nuclear magnetic resonance; molecular dynamics; biophysics; natural products

Special Issue Information

Dear Colleagues,

The health and quality of life that much of the world enjoys today is due, in large part, to the pharmaceuticals that have been derived from natural products research. Penicillin, taxol and the statins are notable examples. However, the pharmaceutical industry has depriortized natural products research in favor of synthetic and combinatorial approaches that offer greater control of the discovery pipeline. Natural products research also suffers from the impression that diversity is increasingly harder to find. Recent technological developments, such as genome-based target prioritization, heterologous expression, mass spectrometry-based molecular networking, and the use of artificial intelligence to classify NMR spectra have attempted to address some of these issues. In this Special Issue, we will highlight technological advances that increase the effectiveness and productivity of natural products research.

Dr. Brendan M Duggan
Guest Editor

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Keywords

natural product
drug discovery
diversity
genomics
mass spectrometry
NMR

Published Papers (11 papers)

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Editorial

Jump to: Research

2 pages, 164 KiB

Open AccessEditorial

Editorial to the Special Issue—“Technology for Natural Products Research”

by Brendan M. Duggan

Molecules 2020, 25(2), 327; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules25020327 - 14 Jan 2020

Cited by 1 | Viewed by 1549

Abstract

Natural product research continues to be a productive source of unusual chemistry, producing novel compounds for biomedical applications and, increasingly, sustainably providing commercially useful compounds [...] Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

Research

Jump to: Editorial

18 pages, 6584 KiB

Open AccessArticle

Ultrasonic Extraction of Tropane Alkaloids from Radix physochlainae Using as Extractant an Ionic Liquid with Similar Structure

by Alula Yohannes, Baohui Zhang, Bing Dong and Shun Yao

Molecules 2019, 24(16), 2897; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24162897 - 09 Aug 2019

Cited by 10 | Viewed by 2543

Abstract

In this research, tropane alkaloids in Radix physochlainae were extracted by tropine-type ionic liquid (IL) aqueous solutions under ultrasound assistance, and N-propyltropine hexafluorophosphate ([C₃Tr][PF₆]) was found to be the most ideal IL in this extraction mode after comprehensive screening. When 0.03 mol/L [C₃Tr][PF₆] aqueous solution was chosen as the extraction solvent, the solid-liquid ratio of raw material powders and ionic liquid aqueous solution was 1:20 (g/mL), ultrasonic power was 90 W and extraction time was 30 min, the extraction efficiency of tropane alkaloids has reached 121.3%. Compared with common heating extraction, it can further shorten the extraction time, improve extraction efficiency and decrease IL consumption. Furthermore, extraction mechanism together with potential toxicity of IL have been explored and discussed. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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16 pages, 2462 KiB

Open AccessArticle

High-Throughput Immunological Analysis of Dictamni Cortex: Implication in the Quality Control of Herbal Medicine

by Miranda Sin-Man Tsang, Pang-Chui Shaw, Ida Miu-Ting Chu, Ling Cheng, Eric Chun-Wai Wong, David Tai-Wai Lau, Christopher Wai-Kei Lam and Chun-Kwok Wong

Molecules 2019, 24(16), 2880; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24162880 - 08 Aug 2019

Cited by 6 | Viewed by 3267

Abstract

Quality inconsistency of herbal medicine is an obstacle that limits the extensive use and study of traditional Chinese medicine. Differences in environmental conditions and processing methods of herbal medicine often result in varying clinical outcomes in patients. Standard chemical markers used for the quality control (QC) of herbal medicine are usually the most abundant and characteristic components, which may not be therapeutically relevant or cannot comprehensively reflect the biological quality of the herbs. In view of this, a novel QC method for better assessment of herbal medicine has been developed via bioactivities analysis. Immunological activities of Dictamni Cortex, a typical herbal medicine for the treatment of various inflammatory diseases, from different geographical locations in China, were evaluated. Upon in vitro treatment of their water and ethanol extracts, distinct patterns of inflammatory cytokines including tumor necrosis factor (TNF)-α, interleukin (IL)-10, IL-6, IL-12p70, IL-1β, and chemokine CXCL8 were released from the lipopolysaccharides- and/or phytohaemagglutinin-stimulated human peripheral blood mononuclear cells (PBMC). Thus, in addition to the commonly used morphological, chemical, or DNA markers, the novel high-throughput profiling of inflammatory cytokines and chemokines of PBMC upon treatment with herbal extracts could be an important reference to help for the quality control of herbal medicine in the future. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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14 pages, 1097 KiB

Open AccessArticle

Drying Effects on Phenolics and Free Radical-Scavenging Capacity of Rhus pachyrrhachis and Rhus virens Used in Traditional Medicine

by María Cruz Juárez-Aragón, Yolanda del Rocio Moreno-Ramírez, Antonio Guerra-Pérez, Arturo Mora-Olivo, Fabián Eliseo Olazarán-Santibáñez and Jorge Ariel Torres-Castillo

Molecules 2019, 24(13), 2438; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24132438 - 02 Jul 2019

Cited by 3 | Viewed by 2629

Abstract

Rhus pachyrrhachis and Rhus virens are medicinal plant species with important uses in northeastern Mexico. They belong to a complex of Rhus species called “lantriscos”, which are used for medicinal applications. The medicinal effects of these species are based on traditional use, however, they require phytochemical research to validate their medicinal properties, as well as structural characterization for their correct identification during the collecting practice and uses. The phytochemical potential of aqueous extracts from R. pachyrrhachis and R. virens was analyzed by the quantification of total phenolic content (TPC), free radical-scavenging potential, and total flavonoids, with a comparison of four drying methods, and some phenolic compounds were identified. Furthermore, the stems and leaves of both species were anatomically characterized to establish a differentiation. R. pachyrrhachis and R. virens showed similar values of phytochemical contents, although the TPC content (0.17 mg of gallic acid equivalent per gram of dry weight, GAE/g DW) was higher in R. virens. The drying method used affected the metabolite contents, and this behavior was related to the species. Regarding the phenolic compounds, shikimic acid, galloylquinic acid, and gallic acid were identified in both species, however, quinic acid was only found in Rhus pachyrrhachis, while vanillic acid O-hexoside was identified only in Rhus virens. At the anatomical level, the pubescence associated with trichomes on the leaves of Rhus pachyrrhachis was highlighted as the main differential characteristic. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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20 pages, 3053 KiB

Open AccessArticle

Technologies for the Selection, Culture and Metabolic Profiling of Unique Rhizosphere Microorganisms for Natural Product Discovery

by Saliya Gurusinghe, Tabin L. Brooks, Russell A. Barrow, Xiaocheng Zhu, Agasthya Thotagamuwa, Paul G. Dennis, Vadakattu V. S. R. Gupta, Thiru Vanniasinkam and Leslie A. Weston

Molecules 2019, 24(10), 1955; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24101955 - 21 May 2019

Cited by 13 | Viewed by 4705

Abstract

Small molecule discovery has benefitted from the development of technologies that have aided in the culture and identification of soil microorganisms and the subsequent analysis of their respective metabolomes. We report herein on the use of both culture dependent and independent approaches for evaluation of soil microbial diversity in the rhizosphere of canola, a crop known to support a diverse microbiome, including plant growth promoting rhizobacteria. Initial screening of rhizosphere soils showed that microbial diversity, particularly bacterial, was greatest at crop maturity; therefore organismal recovery was attempted with soil collected at canola harvest. Two standard media (Mueller Hinton and gellan gum) were evaluated following inoculation with soil aqueous suspensions and compared with a novel “rhizochip” prototype buried in a living canola crop rhizosphere for microbial culture in situ. Following successful recovery and identification of 375 rhizosphere microbiota of interest from all culture methods, isolates were identified by Sanger sequencing and/or characterization using morphological and biochemical traits. Three bacterial isolates of interest were randomly selected as case studies for intensive metabolic profiling. After successful culture in liquid media and solvent extraction, individual extracts were subjected to evaluation by UHPLC-DAD-QToF-MS, resulting in the rapid characterization of metabolites of interest from cultures of two isolates. After evaluation of key molecular features, unique or unusual bacterial metabolites were annotated and are reported herein. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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15 pages, 1469 KiB

Open AccessArticle

Supercritical Fluid Extraction of Lutein from Scenedesmus almeriensis

by Sanjeet Mehariya, Angela Iovine, Giuseppe Di Sanzo, Vincenzo Larocca, Maria Martino, Gian Paolo Leone, Patrizia Casella, Despina Karatza, Tiziana Marino, Dino Musmarra and Antonio Molino

Molecules 2019, 24(7), 1324; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24071324 - 04 Apr 2019

Cited by 50 | Viewed by 4668

Abstract

Lutein has several benefits for human health, playing an important role in the prevention of age-related macular degeneration (AMD), cataracts, amelioration of the first stages of atherosclerosis, and some types of cancer. In this work, the Scenedesmus almeriensis microalga was used as a natural source for the supercritical fluid (SF) extraction of lutein. For this purpose, the optimization of the main parameters affecting the extraction, such as biomass pre-treatment, temperature, pressure, and carbon dioxide (CO₂) flow rate, was performed. In the first stage, the effect of mechanical pre-treatment (diatomaceous earth (DE) and biomass mixing in the range 0.25–1 DE/biomass; grinding speed varying between 0 and 600 rpm, and pre-treatment time changing from 2.5 to 10 min), was evaluated on lutein extraction efficiency. In the second stage, the influence of SF-CO₂ extraction parameters such as pressure (25–55 MPa), temperature (50 and 65 °C), and CO₂ flow rate (7.24 and 14.48 g/min) on lutein recovery and purity was investigated. The results demonstrated that by increasing temperature, pressure, and CO₂ flow rate lutein recovery and purity were improved. The maximum lutein recovery (~98%) with purity of ~34% was achieved operating at 65 °C and 55 MPa with a CO₂ flow rate of 14.48 g/min. Therefore, optimum conditions could be useful in food industries for lutein supplementation in food products. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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17 pages, 1937 KiB

Open AccessArticle

Extraction of Bioactive Compounds Using Supercritical Carbon Dioxide

by Antonio Molino, Vincenzo Larocca, Giuseppe Di Sanzo, Maria Martino, Patrizia Casella, Tiziana Marino, Despina Karatza and Dino Musmarra

Molecules 2019, 24(4), 782; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24040782 - 21 Feb 2019

Cited by 36 | Viewed by 4988

Abstract

Microalgae Dunaliella salina contains useful molecules such as β-carotene and fatty acids (FAs), which are considered high value-added compounds. To extract these molecules, supercritical carbon dioxide was used at different operative conditions. The effects of mechanical pre-treatment (grinding speed at 0–600 rpm; pre-treatment time of 2.5–7.5 min) and operating parameters for extraction, such as biomass loading (2.45 and 7.53 g), pressure (100–550 bars), temperature (50–75 °C) and CO₂ flow rate (7.24 and 14.48 g/min) by varying the extraction times (30–110 min) were evaluated. Results showed that the maximum cumulative recovery (25.48%) of β-carotene was achieved at 400 bars and 65 °C with a CO₂ flow rate of 14.48 g/min, while the highest purity for stage (55.40%) was attained at 550 bars and 65 °C with a CO₂ flow rate of 14.48 g/min. The maximum recovery of FAs, equal to 8.47 mg/g, was achieved at 550 bars and 75 °C with a CO₂ flow rate of 14.48 g/min. Moreover, the lowest biomass loading (2.45 g) and the first extraction cycle (30 min) allowed the maximum extraction of β-carotene and FAs. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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18 pages, 1722 KiB

Open AccessArticle

Phytochemical Profiling of Coryphantha macromeris (Cactaceae) Growing in Greenhouse Conditions Using Ultra-High-Performance Liquid Chromatography–Tandem Mass Spectrometry

by Emmanuel Cabañas-García, Carlos Areche, Juan Jáuregui-Rincón, Francisco Cruz-Sosa and Eugenio Pérez-Molphe Balch

Molecules 2019, 24(4), 705; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24040705 - 15 Feb 2019

Cited by 20 | Viewed by 4487

Abstract

Chromatographic separation combined with mass spectrometry is a powerful tool for the characterization of plant metabolites because of its high sensitivity and selectivity. In this work, the phytochemical profile of aerial and radicular parts of Coryphantha macromeris (Engelm.) Britton & Rose growing under greenhouse conditions was qualitatively investigated for the first time by means of modern ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC-PDA-HESI-Orbitrap-MS/MS). The UHPLC-PDA-HESI-Orbitrap-MS/MS analysis indicated a high complexity in phenolic metabolites. In our investigation, 69 compounds were detected and 60 of them were identified. Among detected compounds, several phenolic acids, phenolic glycosides, and organic acids were found. Within this diversity, 26 metabolites were exclusively detected in the aerial part, and 19 in the roots. Twenty-four metabolites occurred in both plant parts. According to the relative abundance of peaks in the chromatogram, ferulic and piscidic acids and their derivatives may correspond to one of the main phenolic compounds of C. macromeris. Our results contribute to the phytochemical knowledge regarding C. macromeris and its potential applications in the pharmaceutical and cosmetic industries. Besides, some metabolites and their fragmentation patterns are reported here for the first time for cacti species. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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14 pages, 2543 KiB

Open AccessFeature PaperArticle

Enantiomeric Variability of Distaminolyne A. Refinement of ECD and NMR Methods for Determining Optical Purity of 1-Amino-2-Alkanols

by A. Norrie Pearce, Brent R. Copp and Tadeusz F. Molinski

Molecules 2019, 24(1), 90; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules24010090 - 27 Dec 2018

Cited by 5 | Viewed by 3136

Abstract

Sample configurations of distaminolyne A (1a); isolated from the ascidians Pseudodistoma opacum and P. cereum, and collected at different sites in New Zealand, were investigated by two methods: Exciton coupled electronic circular dichroism (EC ECD) of the corresponding N,O-dibenzoyl derivative 1b; and chiral reagent derivatization of 1a with (S)- and (R)-α-methoxyphenylacetic acid (MPA), followed by ¹H-NMR analysis. Configuration and optical purity of 1a (%ee) was found to vary depending on the geographic distribution of ascidian colonies. An improved method for preparing N,O-diarenoyl derivatives of 1a was optimized. The EC ECD method was found to be complementary to the MPA-NMR method at different ranges of %ee. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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18 pages, 1665 KiB

Open AccessArticle

Characterization of Cultivar Differences of Blueberry Wines Using GC-QTOF-MS and Metabolic Profiling Methods

by Fang Yuan, Ke Cheng, Jihui Gao and Siyi Pan

Molecules 2018, 23(9), 2376; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules23092376 - 17 Sep 2018

Cited by 21 | Viewed by 4912

Abstract

A non-targeted volatile metabolomic approach based on the gas chromatography-quadrupole time of fight-mass spectrometry (GC-QTOF-MS) coupled with two different sample extraction techniques (solid phase extraction and solid phase microextraction) was developed. Combined mass spectra of blueberry wine samples, which originated from two different cultivars, were subjected to orthogonal partial least squares-discriminant analysis (OPLS-DA). Principal component analysis (PCA) reveals an excellent separation and OPLS-DA highlight metabolic features responsible for the separation. Metabolic features responsible for the observed separation were tentatively assigned to phenylethyl alcohol, cinnamyl alcohol, benzenepropanol, 3-hydroxy-benzenethanol, methyl eugenol, methyl isoeugenol, (E)-asarone, (Z)-asarone, and terpenes. Several of the selected markers enabled a distinction in secondary metabolism to be drawn between two blueberry cultivars. It highlights the metabolomic approaches to find out the influence of blueberry cultivar on a volatile composition in a complex blueberry wine matrix. The distinction in secondary metabolism indicated a possible O-methyltransferases activity difference among the two cultivars. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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13 pages, 24204 KiB

Open AccessArticle

UPLC-QTOF/MS-Based Metabolomics Applied for the Quality Evaluation of Four Processed Panax ginseng Products

by Jae Won Lee, Seung-Heon Ji, Bo-Ram Choi, Doo Jin Choi, Yeong-Geun Lee, Hyoung-Geun Kim, Geum-Soog Kim, Kyuil Kim, Youn-Hyung Lee, Nam-In Baek and Dae Young Lee

Molecules 2018, 23(8), 2062; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules23082062 - 17 Aug 2018

Cited by 43 | Viewed by 6579

Abstract

In the food industry and herbal markets, it is critical to control the quality of processed Panax ginseng products. In this study, ultra-performance liquid chromatography coupled to quadrupole time of flight mass spectrometry (UPLC-QTOF/MS)-based metabolomics was applied for the quality evaluation of white ginseng (WG), tae-geuk ginseng (TG), red ginseng (RG), and black ginseng (BG). Diverse metabolites including ginsenosides were profiled by UPLC-QTOF/MS, and the datasets of WG, TG, RG, and BG were then subjected to multivariate analyses. In principal component analysis (PCA), four processed ginseng products were well-differentiated, and several ginsenosides were identified as major components of each product. S-plot also characterized the metabolic changes between two processed ginseng products, and the major ginsenosides of each product were found as follows: WG (M-Rb1, M-Rb2, M-Rc, Re, Rg1), TG (Rb2, Rc, Rd, Re, Rg1), RG (Rb1, Rb2, Rc, Rd, Re, Rg1), and BG (Rd, Rk1, Rg5, Rg3). Furthermore, the quantitative contents of ginsenosides were evaluated from the four processed ginseng products. Finally, it was indicated that the proposed metabolomics approach was useful for the quality evaluation and control of processed ginseng products. Full article

(This article belongs to the Special Issue Technology for Natural Products Research)

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