scholarly journals The Untargeted Capability of NMR Recognizes Adulterated Natural Products

2020 ◽  
Author(s):  
Seon Beom Kim ◽  
Jonathan Bisson ◽  
J. Brent Friesen ◽  
Luca Bucchini ◽  
Stefan Gafner ◽  
...  
Keyword(s):  
Natural Products ◽  
Dynamic Range ◽  
Curcuma Longa ◽  
Major Constituent ◽  
Chemical Components ◽  
Chemical Information ◽  
Clinical Effects ◽  
Entry Level ◽  
Universal Detection ◽  
Residual Impurities

Curcuma longa (turmeric) has a long ethnomedical background for common ailments, and Dietary Supplements (DS) labelled as “Curcumin” (CDS) are a highly visible portion of today’s selfmedication market. Due to cost pressure, these CDS products are affected by economically motivated adulteration with synthetic curcumin and are associated with unexpected toxicological issues due to “residual” impurities. Using a combination of targeted and untargeted (phyto)chemical analysis, this study investigated the botanical integrity of two commercial “turmeric” CDS with vitamin and other additives that were associated with reported clinical cases of hepatotoxicity. Analyzing multi-solvent extracts of the CDS by 100% quantitative 1H NMR (qHNMR), alone and in combination with countercurrent separation (CCS), provided chemical fingerprints that allowed both the targeted identification and quantification of declared components and the untargeted recognition of adulteration. While confirming the presence of curcumin as a major constituent, the universal detection capability of NMR identified significant residual impurities. While the loss free nature of CCS captured a wide polarity range of declared and unwanted chemical components and increased dynamic range, (q)HNMR determined their mass proportions and chemical constitutions. The results demonstrate that NMR can recognize undeclared constituents even if they represent a relatively minor gap in the mass balance of a DS product. The chemical information associated with the missing 4.8% and 7.4% (m/m) in the two commercial samples, exhibiting an otherwise adequate curcumin content of 95.2% and 92.6%, pointed to a product integrity issue and adulteration with undeclared synthetic curcumin. Impurities from synthesis are most plausibly the cause of the observed adverse clinical effects. The study exemplifies how the simultaneously targeted and untargeted analytical principle of 100% qHNMR method, performed with entry-level instrumentation (400 MHz), can enhance the safety of DS by identifying adulterated, non-natural “natural” products<br>

scholarly journals The Untargeted Capability of NMR Recognizes Adulterated Natural Products

2020 ◽  
Author(s):  
Seon Beom Kim ◽  
Jonathan Bisson ◽  
J. Brent Friesen ◽  
Luca Bucchini ◽  
Stefan Gafner ◽  
...  
Keyword(s):  
Natural Products ◽  
Dynamic Range ◽  
Curcuma Longa ◽  
Major Constituent ◽  
Chemical Components ◽  
Chemical Information ◽  
Clinical Effects ◽  
Entry Level ◽  
Universal Detection ◽  
Residual Impurities

Curcuma longa (turmeric) has a long ethnomedical background for common ailments, and Dietary Supplements (DS) labelled as “Curcumin” (CDS) are a highly visible portion of today’s selfmedication market. Due to cost pressure, these CDS products are affected by economically motivated adulteration with synthetic curcumin and are associated with unexpected toxicological issues due to “residual” impurities. Using a combination of targeted and untargeted (phyto)chemical analysis, this study investigated the botanical integrity of two commercial “turmeric” CDS with vitamin and other additives that were associated with reported clinical cases of hepatotoxicity. Analyzing multi-solvent extracts of the CDS by 100% quantitative 1H NMR (qHNMR), alone and in combination with countercurrent separation (CCS), provided chemical fingerprints that allowed both the targeted identification and quantification of declared components and the untargeted recognition of adulteration. While confirming the presence of curcumin as a major constituent, the universal detection capability of NMR identified significant residual impurities. While the loss free nature of CCS captured a wide polarity range of declared and unwanted chemical components and increased dynamic range, (q)HNMR determined their mass proportions and chemical constitutions. The results demonstrate that NMR can recognize undeclared constituents even if they represent a relatively minor gap in the mass balance of a DS product. The chemical information associated with the missing 4.8% and 7.4% (m/m) in the two commercial samples, exhibiting an otherwise adequate curcumin content of 95.2% and 92.6%, pointed to a product integrity issue and adulteration with undeclared synthetic curcumin. Impurities from synthesis are most plausibly the cause of the observed adverse clinical effects. The study exemplifies how the simultaneously targeted and untargeted analytical principle of 100% qHNMR method, performed with entry-level instrumentation (400 MHz), can enhance the safety of DS by identifying adulterated, non-natural “natural” products<br>

scholarly journals Pharmaceutical Analysis of An Anti-Diabetic Formulation: Kimshukatvagadi Ghana Capsule

2021 ◽  
Vol 12 (2) ◽  
pp. 247-250
Author(s):  
Garima Singh ◽  
Shailesh V Deshpande ◽  
Rinjin G Krishna
Keyword(s):  
High Performance ◽  
Curcuma Longa ◽  
Large Population ◽  
Herbal Medicines ◽  
Chemical Components ◽  
Butea Monosperma ◽  
Solvent Systems ◽  
Strychnos Potatorum ◽  
Layer Chromatography ◽  
Salacia Reticulata

Ayurveda is one of the oldest and holistic science. Herbal medicines have a long therapeutic history; serving many of the health needs of large population of the world. However, the quality control and assurance remains as a challenge due to the high discrepancy of chemical components involved. In Ayurvedic texts, several formulations have been mentioned in Prameha (Diabetes Mellitus). Kimshukatvagadi is one such formulation mentioned in Sahasrayoga Vati Prakarana adhyaya. It contains Palash (Butea monosperma Lam.), Haridra (Curcuma longa L.), Amalaki (Emblica officinalis L.), Kataka (Strychnos potatorum L.f.), Vairi (Salacia reticulata Wight). Kimshukatvagadi Vati was converted into Ghana to increase its potency and then it was sealed into Capsule for increasing the shelf life, making it easy to dispense, dose fixation etc. Kimshukatvagadi Ghana Capsule was subjected to organoleptic analysis, phytochemical and qualitative analysis to detect the presence of various functional groups, and to high performance thin layer chromatography (HPTLC) examination by optimizing the solvent systems.

scholarly journals COMPARISION OF PHYTOCHEMICALS IN THE FLOWER BUDS, PEDICELS AND LEAVES OF SYZYGIUM AROMATICUM (L.) MERRIL AND PERRY

2019 ◽  
pp. 4-7
Author(s):  
Rajalekshmy V. S. ◽  
V. Manimekalai
Keyword(s):  
Gas Chromatography Mass Spectrometry ◽  
Major Constituent ◽  
Chemical Components ◽  
Syzygium Aromaticum ◽  
Flower Buds ◽  
Reduced Pressure ◽  
Plant Parts ◽  
Mature Flower ◽  
Wide Range ◽  
Major Chemical

Objective: To analyse and compare the major chemical components in the flower buds, pedicels and leaves of Syzygium aromaticum by Gas-Chromatography Mass spectrometry technique. Methods: Healthy and mature flower buds, pedicels and leaves were shade dried and pulverized using a mechanical grinder. The powder was successively extracted with ethanol (40-60o C). The extracts were concentrated under reduced pressure in a rotary evaporator. The ethanolic extracts of the plant parts such as leaves, pedicels, and buds were used for GC-MS analysis.Results: The major constituent is eugenol. Pedicels contain 79.75% eugenol, buds contain 74.12% eugenol and leaves contain 51.03% eugenol. In addition to eugenol, other important components are Acetyl eugenol, Caryophyllene, Humulene and Caryophyllene oxide.Conclusion: Eugenol has a wide range of medicinal properties such as antiseptic, anaesthetic, analgesic anti-inflammatory. Commercially pedicel is not used for eugenol extraction. Present study has revealed that it could be used as a promising one in pharmaceutical industry in addition to flower buds.

scholarly journals Bridging the gap between natural product synthesis and drug discovery

2020 ◽  
Vol 37 (11) ◽  
pp. 1436-1453 ◽  
Author(s):  
Nathanyal J. Truax ◽  
Daniel Romo
Keyword(s):  
Natural Products ◽  
Drug Discovery ◽  
Natural Product ◽  
Chemical Space ◽  
Natural Product Synthesis ◽  
Chemical Information

Various synthetic strategies have been developed to explore natural products as an enduring source of chemical information useful for probing biological relevant chemical space and impacting drug discovery.

scholarly journals Studies on Computational Molecular Interaction Between SARS-CoV-2 Main Protease and Natural Products

2020 ◽  
Author(s):  
Manish Manish
Keyword(s):  
Natural Products ◽  
Molecular Interaction ◽  
Scientific Literature ◽  
Dynamics Simulation ◽  
Major Constituent ◽  
Literature Mining ◽  
Hydroxyl Groups ◽  
Scoring Functions ◽  
Protease Inhibition ◽  
Main Protease

A combination of docking approaches, scoring functions, molecular dynamic simulation, and literature mining have been employed to screen readily available natural products (unique 27256 chemical entities, 598435 unique compounds), which can inhibit the SARS-CoV-2 main protease. Theaflavin digallate, a major constituent of black tea, has been observed to be as three top hits after the virtual screening of 598435 unique compounds. The main protease-theaflavin digallate complex appeared to be in the metastable stage and interact with critical active site residues of the main protease during molecular dynamics simulation for 200 ns. <i>Invitro</i> evidence on main protease inhibition of 2003 SARS-CoV by theaflavin digallate is available in the scientific literature. As evident by the dynamics of intermolecular interactions, theaflavin digallate, forms approximately three hydrogen bonds with Glu166 of main protease, mostly through hydroxyl groups in the benzene ring of benzo(7) annulen-6-one. Glu166 is the most critical amino acid for main protease dimerization, which in turn, is necessary for catalytic activity.<i> </i>We have employed chloroquine and epigallocatechin gallate (green tea component) as a control set. Based on computational molecular interaction and data available in scientific literature, theaflavin digallate can inhibit the main protease of SARS-CoV-2.

scholarly journals Studies on Computational Molecular Interaction Between SARS-CoV-2 Main Protease and Natural Products

2020 ◽  
Author(s):  
Manish Manish
Keyword(s):  
Natural Products ◽  
Molecular Interaction ◽  
Scientific Literature ◽  
Dynamics Simulation ◽  
Major Constituent ◽  
Literature Mining ◽  
Hydroxyl Groups ◽  
Scoring Functions ◽  
Protease Inhibition ◽  
Main Protease

A combination of docking approaches, scoring functions, molecular dynamic simulation, and literature mining have been employed to screen readily available natural products (unique 27256 chemical entities, 598435 unique compounds), which can inhibit the SARS-CoV-2 main protease. Theaflavin digallate, a major constituent of black tea, has been observed to be as three top hits after the virtual screening of 598435 unique compounds. The main protease-theaflavin digallate complex appeared to be in the metastable stage and interact with critical active site residues of the main protease during molecular dynamics simulation for 200 ns. <i>Invitro</i> evidence on main protease inhibition of 2003 SARS-CoV by theaflavin digallate is available in the scientific literature. As evident by the dynamics of intermolecular interactions, theaflavin digallate, forms approximately three hydrogen bonds with Glu166 of main protease, mostly through hydroxyl groups in the benzene ring of benzo(7) annulen-6-one. Glu166 is the most critical amino acid for main protease dimerization, which in turn, is necessary for catalytic activity.<i> </i>We have employed chloroquine and epigallocatechin gallate (green tea component) as a control set. Based on computational molecular interaction and data available in scientific literature, theaflavin digallate can inhibit the main protease of SARS-CoV-2.

scholarly journals Studies on Computational Molecular Interaction Between SARS-CoV-2 Main Protease and Natural Products

2020 ◽  
Author(s):  
Manish Manish
Keyword(s):  
Natural Products ◽  
Molecular Interaction ◽  
Scientific Literature ◽  
Dynamics Simulation ◽  
Major Constituent ◽  
Literature Mining ◽  
Hydroxyl Groups ◽  
Scoring Functions ◽  
Protease Inhibition ◽  
Main Protease

A combination of docking approaches, scoring functions, molecular dynamic simulation, and literature mining have been employed to screen readily available natural products (unique 27256 chemical entities, 598435 unique compounds), which can inhibit the SARS-CoV-2 main protease. Theaflavin digallate, a major constituent of black tea, has been observed to be as three top hits after the virtual screening of 598435 unique compounds. The main protease-theaflavin digallate complex appeared to be in the metastable stage and interact with critical active site residues of the main protease during molecular dynamics simulation for 200 ns. <i>Invitro</i> evidence on main protease inhibition of 2003 SARS-CoV by theaflavin digallate is available in the scientific literature. As evident by the dynamics of intermolecular interactions, theaflavin digallate, forms approximately three hydrogen bonds with Glu166 of main protease, mostly through hydroxyl groups in the benzene ring of benzo(7) annulen-6-one. Glu166 is the most critical amino acid for main protease dimerization, which in turn, is necessary for catalytic activity.<i> </i>We have employed chloroquine and epigallocatechin gallate (green tea component) as a control set. Based on computational molecular interaction and data available in scientific literature, theaflavin digallate can inhibit the main protease of SARS-CoV-2.

scholarly journals Overview of Viral Pneumonia Associated With Influenza Virus, Respiratory Syncytial Virus, and Coronavirus, and Therapeutics Based on Natural Products of Medicinal Plants

2021 ◽  
Vol 12 ◽  
Author(s):  
Ziwei Hu ◽  
Jinhong Lin ◽  
Jintao Chen ◽  
Tengxi Cai ◽  
Lixin Xia ◽  
...  
Keyword(s):  
Natural Products ◽  
Influenza Virus ◽  
Medicinal Plants ◽  
Respiratory Virus ◽  
Herbal Medicines ◽  
Viral Pneumonia ◽  
Screening Tools ◽  
Current Status ◽  
Clinical Effects ◽  
Syncytial Virus

Viral pneumonia has been a serious threat to global health, especially now we have dramatic challenges such as the COVID-19 pandemic. Approximately six million cases of community-acquired pneumonia occur every year, and over 20% of which need hospital admission. Influenza virus, respiratory virus, and coronavirus are the noteworthy causative agents to be investigated based on recent clinical research. Currently, anaphylactic reaction and inflammation induced by antiviral immunity can be incriminated as causative factors for clinicopathological symptoms of viral pneumonia. In this article, we illustrate the structure and related infection mechanisms of these viruses and the current status of antiviral therapies. Owing to a set of antiviral regiments with unsatisfactory clinical effects resulting from side effects, genetic mutation, and growing incidence of resistance, much attention has been paid on medicinal plants as a natural source of antiviral agents. Previous research mainly referred to herbal medicines and plant extracts with curative effects on viral infection models of influenza virus, respiratory virus, and coronavirus. This review summarizes the results of antiviral activities of various medicinal plants and their isolated substances, exclusively focusing on natural products for the treatment of the three types of pathogens that elicit pneumonia. Furthermore, we have introduced several useful screening tools to develop antiviral lead compounds.

scholarly journals Micropropagation and Comparative Study of Chemical Components of Essential Oils of in-vitro and in-vivo Grown Mentha spicata L.

2007 ◽  
Vol 7 ◽  
pp. 71
Author(s):  
B. R. Paudel ◽  
B. Pant
Keyword(s):  
Essential Oils ◽  
Root Formation ◽  
Shoot Culture ◽  
Multiple Shoots ◽  
Major Constituent ◽  
Chemical Components ◽  
Ms Medium ◽  
Mentha Spicata

Axenic shoot culture of Mentha spicata L. was established from young shoots of the plant naturally growing in the field. Large number of multiple shoots were observed on MS media supplemented with NAA (0.5ppm) and BAP (1ppm) within eight weeks of culture. Extensive root formation was observed on MS medium supplemented with 1 ppm NAA. Essential oils from both in vitro and in vivo samples showed l- carvone as a major constituent, however, the in vitro samples showed higher concentration of menthol than in vivo samples. <i>Nepal Journal of Science and Technology</i> Vol. 7, 2006

scholarly journals Comparative Evaluation of the Inhibitory Potential of Synthetic N-Heterocycles, Cu/Fe3O4@SiO2 Nanocomposites and Some Natural Products against Non-Resistant and Antibiotic-Resistant Acinetobacter baumannii

2020 ◽  
Vol 26 (2) ◽  
pp. 184-192
Author(s):  
Jalal Mardaneh ◽  
Hamid Beyzaei ◽  
Seyed Hadi Hashemi ◽  
Behzad Ghasemi ◽  
Abbas Rahdar
Keyword(s):  
Natural Products ◽  
Acinetobacter Baumannii ◽  
Green Tea ◽  
Antimicrobial Agents ◽  
Curcuma Longa ◽  
Tea Catechins ◽  
Green Tea Catechins ◽  
Trachyspermum Ammi ◽  
Heterocyclic Derivatives ◽  
Sio2 Nanocomposites

Background: Acinetobacter baumannii is a common infectious agent in hospitals. New antimicrobial agents are identified and prepared to combat these bacterial pathogens. In this context, the blocking potentials of a series of synthesized N-heterocyclic compounds, Cu/Fe3O4@SiO2 nanocomposites, glycine, poly-L-lysine, nisin and hydroalcoholic extracts of Trachyspermum ammi, Curcuma longa and green tea catechins were evaluated against non-resistant and multidrug-resistant strains of A. baumannii. Methods: Solutions of heterocyclic derivatives and hydroalcoholic extracts of Trachyspermum ammi, Curcuma longa and green tea catechins were prepared at initial concentration of 10240 μg ml-1 in 10% DMSO. Other compounds were dissolved in water at the same concentrations. Their in vitro inhibitory activity was assessed by determination of IZD, MIC and MBC values. Results: Glycine, poly-L-lysine, nisin, Curcuma longa and green tea catechins extracts, and thiazoles 3a, 3d and 3f were ineffective at their initial concentrations. Heterocyclic derivatives 7a-f, 3c, 3e and 3h, Cu/Fe3O4@SiO2 nanocomposites and Trachyspermum ammi extract could block the growth of bacterial strains with IZDs (7.40-15.51 mm), MICs (32-1024 µg ml-1) and MBCs (128-2048 µg ml-1). Conclusion: Among synthetic chemicals and natural products, the best antimicrobial effects were recorded with (E)-2-(5-acetyl-4-methylthiazol-2-yl)-2-(thiazolidin-2-ylidene)acetonitrile (7b) and the extract of Trachyspermum ammi. It is imperative that their toxic and histopathologic effects were assessed in future researches. It is predicted that the essential oil of Trachyspermum ammi will improve its antibacterial activities.

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