Challenges in integrating component level technology and system level information from Ayurveda: Insights from NMR phytometabolomics and anti-HIV potential of select Ayurvedic medicinal plants

Jayasundar, Rama; Ghatak, Somenath; Makhdoomi, Muzamil Ashraf; Luthra, Kalpana; Singh, Apoorv; Velpandian, Thirumurthy

doi:10.1016/j.jaim.2017.06.002

Cited by 12 publications

(6 citation statements)

References 41 publications

(51 reference statements)

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“…An added advantage of 1 H NMR spectroscopy is that it helps in identifying both the primary and secondary metabolites simultaneously without the need for any kind of fractionation/separation. The primary metabolites usually are represented by signals in the aliphatic region (0–4.6 ppm) while the secondary metabolites are found in the aromatic region (5-11 ppm) [ 76 ]. Thus, 1 H NMR profiles of the extracts indicate all the possible signals due to presence of 1 H in the metabolites irrespective of the matrix in which they are present.…”

Section: Discussionmentioning

confidence: 99%

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

Gholkar

Daswani

et al. 2021

BMC Complement Med Ther

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Background Herbal medicines are fast gaining popularity. However, their acceptability by modern practitioners is low which is often due to lack of standardization. Several approaches towards standardization of herbals have been employed. The current study attempted to recognize key peaks from 1H NMR spectra which together would comprise of a spectral fingerprint relating to efficacy of Psidium guajava (guava) leaf extract as an antidiarrhoeal when a number of unidentified active principles are involved. Methods Ninety samples of guava leaves were collected from three locations over three seasons. Hydroalcoholic (water and ethanol, 50:50) extracts of these samples were prepared and their 1H NMR spectra were acquired. Spectra were also obtained for quercetin, ferulic acid and gallic acid as standards. Eight bioassays reflecting different stages of diarrhoeal pathogenesis were undertaken and based on pre-decided cut-offs, the extracts were classified as ‘good’ or ‘poor’ extracts. The bioactivity data was then correlated with the 1H NMR profiles using Regression or Orthogonal Partial Least Square-Discriminant Analysis (OPLS-DA). Results OPLS-DA showed seasonal and regional segregation of extracts. Significant models were established for seven bioassays, namely those for anti-bacterial activity against Shigella flexneri and Vibrio cholerae, adherence of E. coli, invasion of E. coli and S. flexneri and production and binding of toxin produced by V. cholerae. It was observed that none of the extracts were good or bad across all the bioassays. The spectral analysis showed multiple peaks correlating with a particular activity. Based on NMR and LC-MS/MS, it was noted that the extracts contained quercetin, ferulic acid and gallic acid. However, they did not correlate with the peaks that segregated extracts with good and poor activity. Conclusions The current study identified key peaks in 1H NMR spectra contributing to the anti-diarrhoeal activity of guava leaf extracts. The approach of using spectral fingerprinting employed in the present study can thus be used as a prototype towards standardization of plant extracts with respect to efficacy.

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Section: Discussionmentioning

confidence: 99%

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

Gholkar

Daswani

et al. 2021

BMC Complement Med Ther

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“…The average and standard deviation of wild and cultured samples were determined for the whole spectra and primary metabolites (0.5−4.6 ppm) regions. 21 Scatter plots of all the average peak intensities and standard deviation were prepared for both wild and cultured plants for full spectra and primary metabolites, as shown in Figure 2. Through scatter plots of average intensity and standard deviations of four replicates of single 1 H NMR spectra of Gracilaria dura, a high reproducibility of measurements was found, as a standard deviation of 0.2 or less was observed for nearly all buckets (Figure S2).…”

Section: Resultsmentioning

confidence: 99%

“…The average and standard deviation of wild and cultured samples were determined for the whole spectra and primary metabolites (0.5–4.6 ppm) regions . Scatter plots of all the average peak intensities and standard deviation were prepared for both wild and cultured plants for full spectra and primary metabolites, as shown in Figure .…”

Section: Resultsmentioning

confidence: 99%

Profiling of Peak Intensity and Standard Deviation of Metabolites in Industrially Important Red Seaweed Gracilaria dura (Rhodophyta) by ¹H NMR Spectra for Benchmarking

Jaiswar

Thakur

Dawange

et al. 2021

ACS Food Sci. Technol.

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Mapping of regulatory components of cellular functioning by 1H NMR metabolomics has recently paved the way to study biochemical pathways in plants. Despite the enormous complexity and heterogeneity of the metabolites, the estimation of molar concentration allows for their direct quantification without calibration for individual compounds. 1H NMR spectra of near-native extracts were recorded for a large number (55 each) of wild and cultured samples of the industrially important red seaweed Gracilaria dura to obtain quantitative data of all the metabolites. Average and standard deviation of the respective classes were calculated from 1H NMR spectra wherein significant differences between wild and cultured groups were observed in the 1.56–3.50 ppm region. A significant region in the wild samples having a low average (0–0.98) and standard deviation (0.2–0.81) was 1.56–2.96 ppm representing nitrogen-containing compounds. The same region was found to have a much higher standard deviation (0.13–1.73) with average (0–2.03) in cultured samples. In comparison, sugar metabolites (triethanolamine, galactose, lactate, threonine) have a high average peak intensity and similar standard deviation across both groups of samples. This observation reveals that sugar compounds are critical in central metabolic pathways while nitrogen compounds change due to the environment. PCA analysis revealed an interpretable overview of main information enclosed in a multidimensional data set; the differences were correlated to environmental determinants, developmental, and growth states. A signature metabolite profile is presented with minor standard deviation differences between significant parts of the 1H NMR spectra, confirming its use as a rapid chemo-taxonomic tool supplementary to the conventional approach.

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“…The metabolomics can be used as a promising technique for dereplication of metabolites present in the medicinal plant extracts. [24][25] In the above study various phytochemical marker constituents like liquirtin, piperine, gingerols and curcumin were identified on basis of the diagonostic FTIR peaks in the spectra. The characteristic peaks of some of the identified metabolites are given in the Table 2.…”

Section: Discussionmentioning

confidence: 99%

FTIR Based Metabolomics Profiling and Fingerprinting of Some Medicinal Plants: An Attempt to Develop an Approach for Quality Control and Standardization of Herbal Materials

Sahoo¹,

Umashankara²

2022

Pharmacogn. Res.

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Background:The medicinal plants are used for their various therapeutic effects in treatment and prevention of various diseases. Recently herbal medicines are playing an important role in health care across the world. With increased global acceptance of the herbal drugs proper quality control of the herbal medicines have become important to ensure the safety and efficacy of the herbal products. Herbal-based FT-IR metabolomics is a suitable method for quick and reliable quality control and metabolite profiling to ensure quality and reproducibility of herbal medicine. The FT-IR analysis is relatively easy to use, reproducible, non-destructive, and can be used for quick analysis and verification of the herbal medicines. Materials and Methods: In the present work FTIR fingerprint was obtained for extracts and powders of some of the selected medicinal plants. The samples were characterized by using FTIR metabolomics profiling on basis of the diagonostic peaks. Results: Various functional groups, such as phenolics (-OH), carbonyl (C=O), aldehyde (CH=O), ether (C-O-C), aromatic (C=C), and alkyl groups -CH, were identified. Various metabolites e.g. liquiritin, glycyrrhizic acid, glabridin, shogoal, piperine were successfully identified on basis of the diagonostic FTIR peaks. Conclusion: FTIR was found to be a simple, rapid and convenient analytical method and fingerprinting technique for quality control of herbal materials.

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Challenges in integrating component level technology and system level information from Ayurveda: Insights from NMR phytometabolomics and anti-HIV potential of select Ayurvedic medicinal plants

Cited by 12 publications

References 41 publications

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

Profiling of Peak Intensity and Standard Deviation of Metabolites in Industrially Important Red Seaweed Gracilaria dura (Rhodophyta) by ¹H NMR Spectra for Benchmarking

FTIR Based Metabolomics Profiling and Fingerprinting of Some Medicinal Plants: An Attempt to Develop an Approach for Quality Control and Standardization of Herbal Materials

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Challenges in integrating component level technology and system level information from Ayurveda: Insights from NMR phytometabolomics and anti-HIV potential of select Ayurvedic medicinal plants

Cited by 12 publications

References 41 publications

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

1H nuclear magnetic resonance-based metabolite profiling of guava leaf extract: an attempt to develop a prototype for standardization of plant extracts

Profiling of Peak Intensity and Standard Deviation of Metabolites in Industrially Important Red Seaweed Gracilaria dura (Rhodophyta) by 1H NMR Spectra for Benchmarking

FTIR Based Metabolomics Profiling and Fingerprinting of Some Medicinal Plants: An Attempt to Develop an Approach for Quality Control and Standardization of Herbal Materials

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Profiling of Peak Intensity and Standard Deviation of Metabolites in Industrially Important Red Seaweed Gracilaria dura (Rhodophyta) by ¹H NMR Spectra for Benchmarking