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Background
Gugguluthiktham Kashayam (GTK) is the decoction form of Panchatikta Guggulu Ghrita , a classical Ayurvedic formulation used for treating various diseases like skin disorders, ulcers, sinus, asthma, cardiac diseases, arthritis, and cancer.
Results
Tandem mass spectroscopic analysis of GTK was carried out by different ionization technique...
Context in source publication
Citations
... Studies have identified various biologically active compounds in GTK, such as phenolics, flavonoids, coumarins, and catechins, which are responsible for its therapeutic activities. Notably, GTK has been reported to possess antioxidant, anti-inflammatory, and anti-cancer properties highlighting its potential in both preventive and therapeutic healthcare (Sulaiman et al. 2020(Sulaiman et al. , 2023. ...
Guggulutiktam Kashayam (GTK) is an important Polyherbal formulation used in Ayurveda for the treatment of various ailments such as ulcers, cardiac diseases, skin disorders, arthritis and cancer. It is prepared from parts of 29 plants. Polyherbal formulations are rich in active phytochemicals. Active phytochemicals like Caffeic acid and Scopoletin have been quantified in GTK by a validated HPTLC method. Analysis was carried out using CAMAG HPTLC system equipped with auto sampler, documentation unit and densitometry scanner. The method was validated in terms of assessing precision, accuracy, linearity, specificity, robustness, limit of detection (LOD) and limit of quantification (LOQ) as per the International Council for Harmonization (ICH) Guidelines. The quantity of Caffeic acid and Scopoletin in GTK are found to be 0.0262 (%w/w) and 0.00209 (%w/w) respectively. A novel and validated HPTLC method has been developed for the quantification of active compounds of an important Ayurvedic formulation which can be used as a powerful analytical tool for the quality standardization of the formulation. This method can also be used for the quality checking of similar types of other Polyherbal formulations.
... Although individual herbs contain hundreds of diverse phytochemicals, when combined to form PHFs, some of the original phytochemicals may be lost. In addition, the manufacturing process of a PHF may introduce new phytochemicals, resulting in a complex and dynamic mixture of metabolites [9]. This complexity necessitates a distinct approach in understanding the pharmacological properties of PHFs. ...
Background
According to the World Health Organization, more than 80% of the world’s population relies on traditional medicine. Traditional medicine is typically based on the use of single herbal drugs or polyherbal formulations (PHFs) to manage diseases. However, the probable mode of action of these formulations is not well studied or documented. Over the past few decades, computational methods have been used to study the molecular mechanism of phytochemicals in single herbal drugs. However, the in silico methods applied to study PHFs remain unclear.
Objective
The aim of this protocol is to develop a search strategy for a scoping review to map the in silico approaches applied in understanding the activity of PHFs used as traditional medicines worldwide.
Methods
The scoping review will be conducted based on the methodology developed by Arksey and O’Malley and the recommendations of the Joanna Briggs Institute (JBI). A set of predetermined keywords will be used to identify the relevant studies from five databases: PubMed, Embase, Science Direct, Web of Science, and Google Scholar. Two independent reviewers will conduct the search to yield a list of relevant studies based on the inclusion and exclusion criteria. Mendeley version 1.19.8 will be used to remove duplicate citations, and title and abstract screening will be performed with Rayyan software. The JBI System for the Unified Management, Assessment, and Review of Information tool will be used for data extraction. The scoping review will be reported based on the PRISMA-ScR (Preferred Reporting Items for Systematic Reviews and Meta-Analyses extension for Scoping Reviews) guidelines.
Results
Based on the core areas of the scoping review, a 3-step search strategy was developed. The initial search produced 3865 studies. After applying filters, 875 studies were short-listed for further review. Keywords were further refined to yield more relevant studies on the topic.
Conclusions
The findings are expected to determine the extent of the knowledge gap in the applications of computational methods in PHFs for any traditional medicine across the world. The study can provide answers to open research questions related to the phytochemical identification of PHFs, criteria for target identification, strategies applied for in silico studies, software used, and challenges in adopting in silico methods for understanding the mechanisms of action of PHFs. This study can thus provide a better understanding of the application and types of in silico methods for investigating PHFs.
International Registered Report Identifier (IRRID)
PRR1-10.2196/56646
... Although individual herbs contain hundreds of diverse phytochemicals, when combined to form PHFs, some of the original phytochemicals may be lost. In addition, the manufacturing process of a PHF may introduce new phytochemicals, resulting in a complex and dynamic mixture of metabolites [9]. This complexity necessitates a distinct approach in understanding the pharmacological properties of PHFs. ...
BACKGROUND
According to the World Health Organization, more than 80% of the world’s population relies on traditional medicine. Traditional medicine is typically based on the use of single herbal drugs or polyherbal formulations (PHFs) to manage diseases. However, the probable mode of action of these formulations is not well studied or documented. Over the past few decades, computational methods have been used to study the molecular mechanism of phytochemicals in single herbal drugs. However, the in silico methods applied to study PHFs remain unclear.
OBJECTIVE
The aim of this protocol is to develop a search strategy for a scoping review to map the in silico approaches applied in understanding the activity of PHFs used as traditional medicines worldwide.
METHODS
The scoping review will be conducted based on the methodology developed by Arksey and O’Malley and the recommendations of the Joanna Briggs Institute (JBI). A set of predetermined keywords will be used to identify the relevant studies from five databases: PubMed, Embase, Science Direct, Web of Science, and Google Scholar. Two independent reviewers will conduct the search to yield a list of relevant studies based on the inclusion and exclusion criteria. Mendeley version 1.19.8 will be used to remove duplicate citations, and title and abstract screening will be performed with Rayyan software. The JBI System for the Unified Management, Assessment, and Review of Information tool will be used for data extraction. The scoping review will be reported based on the PRISMA-ScR (Preferred Reporting Items for Systematic Reviews and Meta-Analyses extension for Scoping Reviews) guidelines.
RESULTS
Based on the core areas of the scoping review, a 3-step search strategy was developed. The initial search produced 3865 studies. After applying filters, 875 studies were short-listed for further review. Keywords were further refined to yield more relevant studies on the topic.
CONCLUSIONS
The findings are expected to determine the extent of the knowledge gap in the applications of computational methods in PHFs for any traditional medicine across the world. The study can provide answers to open research questions related to the phytochemical identification of PHFs, criteria for target identification, strategies applied for in silico studies, software used, and challenges in adopting in silico methods for understanding the mechanisms of action of PHFs. This study can thus provide a better understanding of the application and types of in silico methods for investigating PHFs.
INTERNATIONAL REGISTERED REPORT
PRR1-10.2196/56646
... As a result, the use of diverse medicinal plants to address distinct indications and symptoms of a condition is fair, and the numerous plants that comprise the polyherbal formulation will have improved effectiveness. Moreover, certain pharmacological actions of bioactive constituents are significant only when used with other plants as a result of synergism [3]. A polyherbal medicine made from many different plants may have greater efficacy, fewer side 38 Economically Important Medicinal Plants in Traditional Polyherbal Formulations Prepared by Local Physicians of Rural Travancore effects, a more pleasant flavour, and longer shelf life. ...
In Ayurveda, polyherbal preparations appear to be an unavoidable medicinal approach. Many polyherbal medicines are prepared by local medical practitioners from rural regions of Thiruvananthapuram district, who follow their ethnic customs. The current study was an investigation of their medical system in order to determine the types of plants and plant parts that are used as main components in medicinal compositions. In this study, fifty plants from 34 distinct families were found to be used in the preparation of various Ayurvedic medicines. Solanaceae, Fabaceae, Zingiberaceae, and Piperaceae were the most important among the 34 families studied in terms of the number of herbal medications produced. The most prevalent constituent in 66 percent of currently investigated formulations is Zingiber officinale, followed by Piper longum and Aegle marmelos. The root was found to be the most commonly used plant portion, and harvesting the entire plant could lead to the natural depletion of supply materials. Many of the plants are also becoming threatened. This leads to drug adulteration, necessitating the development of procedures for detecting contaminated products.
... The mobile phase was optimized as Toluene: Ethyl acetate: Methanol in the ratio 8:2:1. The chromatogram was developed in a saturated chromatographic chamber (Camag, Switzerland) and the developed plate was visualized under 366 nm [10]. ...
... % formic acid (solvent A) and acetonitrile (solvent B) at a constant flow rate of 0.9 ml/ min. Column temperature was maintained at 30°C [14,10]. The data was processed with Mass Hunter software (Agilent Technologies) to obtain the molecular ion peaks and corresponding mass fragments. ...
Background
Euphorbia thymifolia L. and Euphorbia hirta L. are two medicinally important species used in Ayurveda and are known as Laghududhika and Dudhika respectively. This study was carried out to evaluate the comparative metabolite profiling and anti-cancer activity of E. thymifolia and E. hirta. Chemical profiling was done by High Performance Thin Layer Chromatography (HPTLC) and quantitative estimations of major class of phytochemicals were done using specified spectrophotometric methods. Detailed metabolite profiling was done by tandem mass spectroscopic evaluation by Q-TOF-LC-MS/MS analysis. Anticancer activity was evaluated using Ehrlich Ascites Carcinoma (EAC) model in mice with 5-fluorouracil as standard.
Results
HPTLC profile showed that most of the chemical contents are similar in both species. Major group of secondary metabolites such as phenolics, flavonoids and sterols were found to be in equal concentration in both species. LC/MS analysis and data processing based on the molecular ion fragmentation pattern led to the identification of 44 compounds from the selected species. Pharmacological evaluation showed that both species possess anti-cancer activity against ascites carcinoma in mice model, however, E. hirta showed a significant dose dependent anticancer activity against EAC induced peritoneial ascites in mice.
Conclusion
The study concluded that the selectd species comparised of variety of active phytoconstrtiuents with anti-cancer properties.
... However, the treasures of formulations mentioned for many disease conditions must be subjected to scientific research not only to confirm its validity but also to enrich it with contemporary advances to the existing knowledge. Ayurvedic formulations encompass a variety of botanicals as constituent materials, some may comprise of minerals, metals, and animal-derived substances, and each of them has several chemical compounds that, when combined, may offer the anticipated action [1] . Herbal compositions are becoming increasingly important in today's world of raw material scarcity. ...
Introduction: Herbal compositions are becoming increasingly important in today's world of raw material scarcity. Polyherbal formulations exhibit high efficacy due to the presence of active phytochemicals which may enhance their potency due to the synergetic interaction of active ingredients of different plants. Ayurgreen Natura Pain Gel is an important Ayurvedic polyherbal formulation prepared using specified plant parts of dried aloe vera and fresh aloe vera pulp, frankincense, myrrh, ferula asafetida. Methods: The phytochemistry of Ayurgreen Natura Pain Gel has been evaluated using a liquid chromatography-mass spectrometer and their bioactive functional groups were characterized using Fourier Transform Infrared Spectroscopy and UV-Visible spectroscopy. Moreover, the thermal analysis was performed using differential scanning calorimetry. Further, invitro studies were used to evaluate its anti-inflammatory, antioxidant and anti-cancerous activities. Results: The LCMS results revealed the presence of 40 phytoconstituents. It shows the presence of Manumycin A which helps wound healing by binding it with RAS protein. The thermogram results revealed the presence of volatile ingredients, melting, and degradation temperature. The formulation showed remarkable anti-inflammatory (IC50 119.8 μg/mL) and antioxidant (IC50 200 μg/mL) activities. The formulation showed potent cytotoxic effect towards Ehrlich ascites carcinoma (EAC) and Dalton’s lymphoma ascites (DLA) cell lines with IC 50 values 62 mg/mL and 20 mg/mL respectively. Discussion/Conclusions: The formulation can be considered as a potent anti-inflammatory cum anti-cancerous Natura Pain Gel with antiproliferative activity. Fascinatingly, the wild habitat contained some anticancerous phytoconstituents which might be responsible for enhanced anti-cancerous activity in mice cancer cell lines (EAC) and (DLA) cell lines.
... It was also identified in ethanolic extract of Albizia julibrissin stem bark (Baek et al. 2010) as well as stem bark extract of Albizia lebbeck (Thube et al. 2014). Betulinic acid is a widely distributed phenolic compound (pentacyclic lupane-type triterpene) in kingdom plantae and has been indicated to elicit intriguing pharmacological activities, including antioxidant and antibacterial activities (Karan et al. 2019;Sulaiman et al. 2020). Specifically, it exhibited antibacterial activity against E. coli, S. aureus, P. aeruginosa, Salmonella typhi, Shigella dysenteriae and Bacillus subtilis (Koma and Sani 2014; Nambooze 2019; Shai et al. 2008). ...
Background
Albizia coriaria Welw ex. Oliver ( A. coriaria ) is one of the treasured medicinal plants in Africa. In continuity of our study verifying the claim of using its leaves for managing bacterial diseases and oxidative stress-mediated complications in Ugandan traditional phytomedicine, we characterized its most active (ethanolic) extract using ultraviolet–visible (UV–Vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, thin layer chromatography, column chromatography and gas chromatography–mass spectrometry.
Results
UV–Vis absorption peaks occurred between 338 and 664 nm, which indicated the presence of alkaloids, flavonoids and terpenoids. FTIR spectrum of the extract indicated the presence of O–H, C=O and aromatic–C=C which confirmed the presence of alcohols, carboxylic acids and aromatics in the extract. Four known bioactive triterpenoids: lupeol ( 1 ), lupenone ( 2 ), betulinic acid ( 3 ), betulin ( 4 ) along with an aromatic alcohol: benzyl alcohol ( 5 ) were tentatively identified in different fractions of A. coriaria ethanolic leaf extract. Compound 4 was identified for the first time in this species.
Conclusions
All the compounds identified in the fractions of the A. coriaria ethanolic leaf extract have reported pharmacological activities, including antioxidant and antibacterial activities. This supports the traditional use of A. coriaria leaves in the management of oxidative stress-mediated conditions and bacterial diseases in Uganda.
... The chromatogram was developed in a saturated Twin Trough chromatographic chamber (Camag, Switzerland). The developed plate was visualized under UV at 254 nm and 366 nm and in visible light after derivatizing with anisaldehyde sulfuric acid reagent followed by heating at 105°C for 5 min [12]. ...
... The conditions for mass spectrometry were drying gas (nitrogen) flow 5 l/min, nebulizer pressure 40 psig, drying gas temperature 325°C, capillary voltage 3000 V, and fragmentor volt 125 V. The mass fragmentation was performed by collision-induced dissociation with varying collision energy 4 V/100 DA with an offset of 8 V [12]. ...
Background
In Ayurveda, Jivanti is an important Rasayana drug that increases the energy level of the body. The botanical source of Jivanti is in a situation of controversy. The root of Leptadenia reticulata is the genuine source plant for Jivanti as per Ayurvedic Pharmacopeia of India. However, other species such as Holostemma ada-kodien and Flickingeria nodosa are also used as source plants for Jivanti in various parts of the country. The objective of this study is to identify a scientifically validated alternative source plant for Jivanti by phytochemical and pharmacological evaluation.
Results
In this study, anti-inflammatory and anti-diabetic activities of various source plants for Jivanti were evaluated along with their phytochemical comparison. H. ada-kodien showed significant anti-inflammatory and anti-diabetic activity when compared to L. reticulata .
Conclusion
The study concluded the possibility of using Holostemma ada-kodien as a substitute for Jivanti in the Ayurvedic drug industry.
Graphical abstract
... It was also identified in ethanolic extract of A. julibrissin stem bark (Baek et al., 2010) as well as stem bark extract of A. lebbeck (Thube et al., 2014). Betulinic acid is a widely distributed phenolic compound (pentacyclic lupanetype triterpene) in kingdom plantae and has been indicated to elicit intriguing pharmacological activities, including antioxidant and antibacterial activities (Karan et al., 2019;Sulaiman et al., 2020). Specifically, it exhibited antibacterial activity against E. coli, S. aureus, P. aeruginosa, S. typhi, Shigella dysenteriae and Bacillus subtilis (Koma & Sani, 2014;Nambooze, 2019;Sallau et al., 2016;Shai et al., 2008). ...
Oxidative stress-induced conditions and bacterial diseases constitute some of the major causes of mortality worldwide. Their treatment is becoming a challenge due to antimicrobial resistance, prohibitive costs, inaccessibility and side effects of the conventional drugs. Thus, traditional medicine is becoming popular in the treatment of these diseases in various parts of the world. The objectives of this study were to;(1) identify the secondary metabolites in extracts of Albizia coriaria leaves (EOACL), (2) determine the total phenolic and total flavonoid contents of EOACL, (3) establish the antioxidant activity of EOACL, (4) evaluate the antibacterial activity of EOACL, and (5) characterize the phytochemicals in the most active EOACL used in traditional treatment of oxidative stress-induced conditions and bacterial diseases in Uganda. The leaves were sampled from Jinja, Kole and Mbarara districts of Uganda, representing the South East, Mid Northern and Southern drylands agroecological zones, respectively. Shade-dried samples were ground into powder and successively extracted with ethyl acetate, ethanol and distilled water. The extracts were chemically profiled using classical phytochemical screening, ultraviolet-visible (UV-Vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy and gas chromatography-mass spectrometry (GC-MS). The total phenolic content, total flavonoid content, antioxidant and antibacterial activities were determined using; Folin-Ciocalteu method, aluminum chloride assay, 1,1-diphenyl-2-picrylhydrazyl assay and culture-based agar disc diffusion method, respectively. The results obtained varied for the three agroecological zones; Mbarara leaf extracts had many secondary metabolites and exhibited the highest bioactivities, followed by Kole and Jinja extracts. Phytochemical screening results indicated that phenols, alkaloids, saponins, flavonoids, cardiac glycosides and tannins were the major secondary metabolites in EOACL. These results were confirmed by UV-Vis spectra (with absorption maxima of 338 nm, 470 nm, 534 nm, 607 nm and 664 nm) and FTIR spectra which indicated the presence of O-H stretch (3370.27 cm-1), C=O (1739.70 cm-1), N-H (3261.46 cm-1) and aromatic-C=C (1454.48 cm-1). Total phenolic and flavonoid contents, and antioxidant activity were found to be highest for ethanolic extracts, with the highest contents (101.72 ± 0.22 mg GAE/ g DW and 13.23 ± 0.03 mg QE/ g DW) and antioxidant potential (IC50 = 18.65 ± 0.06 mg/mL) being for EOACL from Mbarara district. The high antioxidant potential of EOACL suggests their potential role in the prevention of oxidative stress-induced conditions. Antibacterial screening indicated that ethanolic extracts had the highest antibacterial activities with mean zones of inhibition of 6.00 ± 1.73 to 10.00 ± 1.73 mm, 5.00 ± 1.00 to 12.30 ± 1.53 mm, 17.00 ± 0.00 to 25.00 ± 2.65 mm and 9.00 ± 1.73 to 16.00 ± 1.73 mm for Escherichia coli (E. coli), Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella typhi, respectively. Ethyl acetate EOACL from Kole and Mbarara were active against E. coli with inhibition zones of 3.00 ± 0.00 mm and 4.00 ± 2.00 mm respectively. Ethyl acetate EOACL from Jinja and all the aqueous extracts showed no antibacterial activity. Characterization of fractions of the most active (ethanolic) EOACL using GC-MS led to the identification of nine compounds: lupeol (7), lupenone (8), betulinic acid (9), benzyl alcohol (12), betulin (13), oleanolic acid (14), oleanolic acid acetate (15), undecanol (16) and pterin-6-carboxylic acid (17) of which compounds 13-17 are being reported for the first time in Albizia coriaria. In conclusion, EOACL were established to have compounds with antioxidant and antibacterial activities, giving credence to their use in traditional management of oxidative stress-induced conditions and bacterial diseases. Clinical trials using the active EOACL and the identified compounds should be done.
... For this reason, it is very important to determine these compounds responsible for the activity in plants qualitatively or quantitatively. When looking through the literature, it is clear that the liquid chromatography-mass spectrometry approach is one of the most widely used methods for analysing phenolic chemicals in medicinal plants [9,10]. ...
Abstract
Background: Micromeria fruticosa (L.) Druce ssp. brachycalyx P. H. Davis and Rhus coriaria L., which are Lamiaceae species, are used both as spices in food and medicinally. Lamiaceae species are known to contain high amounts of polyphenols. In this study, liquid chromatography–quadrupole time-of-fight–tandem mass spectrometry (LC-QTOF-MS/MS) was used for analysis of polyphenols in the plants. Under gradient elution with using 0.1% aqueous acetic acid solution and acetonitrile mobile phases, an Agilent Poroshell C18 reversed phase column was used for the simultaneous determination of 18 polyphenols, and separation was performed in 30 min. Pharmacokinetic properties of these polyphenols such as drug-like and toxicity were estimated using open-source software, pkCSM and SwissADME.
Results: These compounds were determined to represent diferent classes of polyphenols, including phenolic acids, favonoids, coumarin and tannins. ADMET predictions of polyphenols indicated that these compounds are easily absorbed and do not have toxic efects.
Conclusion: While the Rhus coriaria L. includes anthocyanidins, tannins, phenolic acid and favonoids, the Micromeria fruticosa (L.) Druce ssp. brachycalyx P. H. Davis has phenolic acid, coumarin and favonoids, according to these results.
In silico ADME/Tox predictions revealed that these bioactive components are to be drug-like and non-mutagenic. These data are supportive for future analysis that can lead to their therapeutic use of the plants, suggesting that this species may be used as a natural medicinal source in the future after detailed analysis tests.
Keywords: Tandem mass spectrometry, ADMET, Phenolics, Lamiaceae
