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NMR-Based Metabolomics for Geographical Discrimination of Adhatoda vasica Leaves.

ABSTRACT: Adhatoda vasica (L.), Nees is a widespread plant in Asia. It is used in Ayurvedic and Unani medications for the management of various infections and health disorders, especially as a decoction to treat cough, chronic bronchitis, and asthma. Although it has a diverse metabolomic profile, this plant is particularly known for its alkaloids. The present study is the first to report a broad range of present compounds, e.g., α-linolenic acid, acetate, alanine, threonine, valine, glutamate, malate, fumaric acid, sucrose, β-glucose, kaempferol analogues, quercetin analogues, luteolin, flavone glucoside, vasicine and vasicinone, which were identified by NMR spectroscopy-based metabolomics. Multivariate data analysis was used to analyze ¹H-NMR bucketed data from a number of Adhatoda vasica leave samples collected from eight different regions in Pakistan. The results showed large variability in metabolomic fingerprints. The major difference was on the basis of longitude/latitude and altitude of the areas, with both primary and secondary metabolites discriminating the samples from various regions.

SUBMITTER: Jahangir M

PROVIDER: S-EPMC9921906 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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NMR-Based Metabolomics for Geographical Discrimination of <i>Adhatoda vasica</i> Leaves.

Jahangir Muhammad M Atta-Ur-Rehman Abdel Farid Ibrahim Bayoumi IB Verpoorte Robert R Khan Imran I Peng Jiangnan J

Plants (Basel, Switzerland) 20230118 3

<i>Adhatoda vasica</i> (L.), Nees is a widespread plant in Asia. It is used in Ayurvedic and Unani medications for the management of various infections and health disorders, especially as a decoction to treat cough, chronic bronchitis, and asthma. Although it has a diverse metabolomic profile, this plant is particularly known for its alkaloids. The present study is the first to report a broad range of present compounds, e.g., α-linolenic acid, acetate, alanine, threonine, valine, glutamate, mala ...[more]

PMID: 36771538

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Project description:Adhatoda vasica (also called Vasaka) is a traditional medicinal herb used traditionally for the relief of cough, asthma, nasal congestion, bronchial inflammation, upper respiratory infections, bleeding disorders, skin diseases, leprosy, tuberculosis, diabetes, allergic conditions, rheumatism, tumor, and many more diseases. The present study aims to investigate the biological activities of vasicine, a potent alkaloid from A. vasica with different biological/ pharmacological assays and in silico techniques. Vasicine showed antimicrobial activity as evidenced fromthe colony-forming unit assay. It showed antioxidant activity in ABTS scavenging assay (IC50 = 11.5 μg/ml), ferric reducing power assay (IC50 = 15 μg/ml), DPPH radical scavenging assay (IC50 = 18.2 μg/ml), hydroxyl radical scavenging assay (IC50 = 22 μg/ml), and hydrogen peroxide assay (IC50 = 27.8 μg/ml). It also showed anti-inflammatory activity in proteinase inhibitory assay (IC50 = 76 μg/ml), BSA method (IC50 = 51.7 μg/ml), egg albumin method (IC50 = 53.2 μg/ml), and lipooxygenase inhibition assay (IC50 = 76 μg/ml). Vasicine showed antidiabetic activity in α-amylase inhibition assay (IC50 = 47.6 μg/ml), α-glucosidase inhibition assay (IC50 = 49.68 μg/ml), and non-enzymatic glycosylation of hemoglobin assay. It showed antiviral activity against HIV-protease (IC50 = 38.5 μg/ml). Vasicine also showed anticancer activity against lung cancer cells (IC50 = 46.5 μg/ml) and human fibroblast cells (IC50 = 82.5 μg/ml). In silico studies revealed that similar to the native ligands, vasicine also showed a low binding energy, i.e., good binding affinity for the active binding sites and interacted with α-amylase (-6.7 kcal/mol), α-glucosidase (-7.6 kcal/mol), cyclooxygenase (-7.4 kcal/mol), epidermal growth factor receptor (-6.4 kcal/mol), lipooxygenase (-6.9 kcal/mol), and HIV-protease (-6.4 kcal/mol). The present study ascertains the potential of vasicine as a bioactive compound isolated from A. vasica having therapeutic usefulness in many human diseases.

Project description:ObjectiveDiabetic individuals have a higher probability of suffering from illness and death due to small blood vessel-related problems such as retinopathy, neuropathy, nephropathy, and stroke than other complications. There are many synthetic anti-diabetic agents available, but these can be expensive and have undesirable pathological effects. The enzyme α-amylase (hydrolase), catalyzes the hydrolysis of starch to maltose and glucose via the cleavage of α-1,4-glucosidic linkages. Diabetes mellitus patients may benefit from a therapeutic strategy that involves slowing the hydrolysis of starch by inhibiting the activity of α-amylase. Thus, looking for cost-effective, natural, and safe antidiabetic agents is essential. This study aims to screen phytoconstituents and evaluate the in-vitro and in-silico α-amylase inhibitory activity of the ethanolic extract of Adhatoda vasica leaves.MethodsThe extraction of Adhatoda vasica leaves was performed using ethanol via the Soxhlet extraction process. Different concentrations (100 μg/mL to 1000 μg/mL) of ethanolic extract, Acarbose, and Sitagliptin, were prepared and evaluated for α-amylase inhibitory activity using the spectrophotometric method. Molecular docking (AutodockVina 1.2.0) and toxicity profiling (SToPToX web server) studies were performed.ResultsThe ethanolic extract of Adhatoda vasica leaves showed the highest percentage inhibition against α-amylase (56.763 ± 0.0035) at a concentration of 1000 μg/mL. The in-silico study supported this inhibitory activity. Vasicoline (C5) and Quercetin (C9), the active constitute of Adhatoda vasica, showed the best binding energies of -8.3 and -8.0 Kcal/mol, respectively against α-amylase enzyme (PDBID: 4W93). A toxicity study revealed the safety profile of the plant extract.ConclusionIt was concluded that Adhatoda vasica leaves possess some bioactive compounds that are responsible for controlling blood glucose levels, and their identification, purification, and isolation may lead to the development of new therapeutic agents with fewer side effects than the available drugs.

Project description:BackgroundLevels of heavy metal pollution are increasing due to industrial activities and urban expansion. While cobalt (Co) can be toxic to plants at high levels and isn't considered essential, it plays a beneficial role in many enzymes and is critical for various biological functions. We conducted experiments to determine how Adhatoda vasica proliferated shoots react to exposure to various Co concentrations (50-1000 µM). We employed physiological and biochemical markers to elucidate the response mechanisms of this medicinal plant. The experiment was conducted in two replicates per treatment. The statistical analysis was based on data from four biological replicates per treatment.ResultsInterestingly, the lowest Co concentration (50 µM) increased proliferated shoot growth by 41.45%. In contrast, higher Co concentrations (100-1000 µM) had detrimental effects on proliferated shoot development, water content, and photosynthetic pigment concentrations. As Co concentration increased, proliferated shoots produced excessive concentrations of reactive oxygen species (ROS). This ROS overproduction is believed to be the primary cause of oxidative damage, as evidenced by the elevated concentrations (18.46%-72.84%) of malondialdehyde (MDA) detected. In response to Co stress, non-enzymatic antioxidants were activated in a concentration-dependent manner. Co administration significantly increased the concentrations of different stress-protective compounds in shoots, including total antioxidants (133.18%), ascorbic acids (217.94%), free and bound phenolics (97.70% and 69.72%, respectively), proline (218.59%), free amino acids (206.96%), soluble proteins (65.97%), and soluble carbohydrates (18.52%). FTIR analysis further corroborated changes in the chemical composition of proliferated shoots. The analysis revealed variations in the peaks associated with major macromolecules, including phenolic compounds, lipids, proteins, carbohydrates, cellulose, hemicellulose, and sugars.ConclusionsOur study offers the first comprehensive investigation into mechanisms by which Co stress triggers oxidative damage and alters functional groups in the medicinal plant, Adhatoda vasica.

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NMR-Based Metabolomics for Geographical Discrimination of Adhatoda vasica Leaves.

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NMR-Based Metabolomics for Geographical Discrimination of <i>Adhatoda vasica</i> Leaves.

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