Alpha-glucosidase Inhibitory Activity Research Articles

Coconut Testa Flour Sub-Fractions: Correlation Between FTIR Spectral Data and α-Glucosidase Inhibitory Activities

Fourier-transform infrared spectroscopy (FTIR) serves as a rapid analytical technique to characterize food specimens chemically. The purpose of this study was to investigate the potential of FTIR combined with multivariate statistics to detect Alpha-glucosidase (Alpha-glu) inhibitory activities of a non-cereal flour-like coconut testa flour (CTF). CTF of five distinct local cultivars was sequentially extracted with hexane, ethyl acetate (EtOAc), and methanol (MeOH) to assay the Alpha-glu inhibitory activity. FTIR spectra of CTF extracts were obtained within the range of 4000–500 cm−1 and the prominent spectral peaks obtained for both hexane and EtOAc extracts were roughly similar but some additional peaks were observed in EtOAc extracts representing phenolic constituents. The major absorbance peaks found in MeOH extracts were primarily indicative of the occurrence of the hydroxyl group associated with carbohydrates and phenolic compounds. The multivariate predictive models developed using partial least squares (PLS) and orthogonal partial least squares (OPLS) regression analyses indicated a strong correlation between Alpha-glu inhibitory activity and spectral data. Models developed for the spectral regions 3700–2800 cm−1 and 1800–500 cm−1 exerted the highest regression coefficients with the lowest root mean square errors. In OPLS regression analysis, the model obtained with third-derivative spectral data was identified as the best, exhibiting the highest regression coefficients and the lowest root mean square errors. Both PLS and OPLS regression analyses indicated a potential correlation of Alpha-glu inhibitory activity with FTIR spectral regions. Notably, OPLS models offered enhanced interpretability of the model parameters. This study suggests that the application of multivariate regression analysis of FTIR spectral data on coconut-based products could help to detect Alpha-glu inhibitory activities.

Screening of anti-diabetic potential of the siddha formulation sambirani poo kuligai by in-vitro alpha glucosidase enzyme inhibition assay

Background: Noninsulin-dependent diabetes mellitus (NIDDM) is a common disease of the endocrine system caused by the decreased secretion of insulin by the pancreatic Langerhans beta cell or by the lowering of insulin resistance due to excessive absorption of glucose. The Siddha system of medicine is a traditional medical system that uses a scientific and holistic approach to provide preventive, promotive, curative, rejuvenative and rehabilitative health care. According to Siddha literature, diabetes is known as Innippu Neer, Madhumegam and Neerizhivu. The various reasons for the cause of this disease are attributed to foodhabits and lifestyle changes and also due to hereditary causes. One of the therapeutic approaches is to decrease the postprandial hyperglycemia by retarding the absorption of glucose through the inhibition of carbohydrate-hydrolyzing enzymes, such as a-amylase and ?-glucosidase. ?-Glucosidase are enzyme that catalyze the absorption of digested glucose from dietary polysaccharides in the small intestine. Aim: The aim of the present study is to evaluate the anti-diabetic potential of the siddha formulation of Sambirani Poo Kuligai(SPK) by alpha glucosidase enzyme inhibition assay. Method: The spectrophotometric assay method was used to find alpha glucosidase inhibitory activity. Results: SPK showed presence of alpha glucosidase inhibitory potential with the maximum inhibition of about 41.74 ± 3.578 % and the corresponding IC50 is 606.5 ± 49.51?g/ml. Conclusion: This in-vitro study revealed the presence of the alpha glucosidase activity in the siddha formulation Sambirani Poo Kuligai possesses antidiabetic activity

Chemical constituents with their alpha-glucosidase inhibitory activity from the whole plant of Ceratophyllum demersum

From Ceratophyllum demersum growing in Vietnam, twelve compounds were isolated and structurally elucidated, including six previously undescribed compounds, demersones A-D (1-4), acetylvelutins A and B (8 and 9), together with six known compounds, (+)-cyclocolorenone (5), 1-hydroxycyclocolorenone (6), 10-hydroxycyclocolorenone (7), retusin (10), betulinic acid (11), and lupeol (12). The chemical structures and stereochemistry of 1-12 were identified through analysis of spectroscopic data (1D and 2D NMR and HRESIMS), ECD data, and DFT calculation. Notably, this is the first time that humulene-type (1 and 2), guaiane-type (3), and aromadendrane-type sesquiterpenoids (4-7) have been reported in this genus. Compounds 8 and 9 are the first examples of 8-acetoxyflavones found in nature. Upon evaluation of the alpha-glucosidase of 1-3 and 5-12, it was found that 12 exhibited the highest potential with an IC50 value of 15.4 ± 1.1 μM. The molecular docking of 3 and 8 was further studied.

Ulva sp.'nin aktif bileşiklerinin elde edilmesi için ekstraksiyon koşullarının optimizasyonu

Ulva sp., a green macroalgae known as sea lettuce, is rich in polysaccharides, proteins, minerals, and bioactive compounds with antimutagenic, anticoagulant, anticancer, anti-inflammatory, antibacterial, and nutraceutical properties. Its abundance along the Aegean Sea coast poses an environmental challenge, as it is often disposed of as waste. However, Ulva sp. holds potential for high-value products in cosmetics and dietary supplements. Optimizing the extraction of its bioactive compounds using response surface methodology involved adjusting ethanol concentration, solid/liquid ratio, and extraction time. Key responses evaluated included yield, total polysaccharides, total protein, total phenol, total antioxidant activity, alpha-glucosidase inhibitory activity, and yeast cell glucose uptake. In this study, extraction yields ranged from 0.86% to 22.47% based on variations in extraction conditions. The highest total protein content was 106.88 mg BSA/g dry extract, while the polysaccharide content was determined to be 15.42%. The highest values for total phenol content and antioxidant capacity were found to be 82.15 mg GAE/g dry extract and 63.63 mg Trolox/g dry extract, respectively. The determination of the total amounts of antioxidants and phenolic compounds in extracts may expand their potential applications. In addition, the potential application of Ulva sp extracts as inhibitors for the treatment of diabetes has been demonstrated through experiments assessing both alpha-glucosidase enzyme inhibition and glucose uptake in yeast cells. The results support an environmentally friendly approach for the utilization of Ulva sp. from waste into valuable antidiabetic products.

Total Phenolics, Flavonoids, and ɑ-Glucosidase Inhibitory Activity of Red Betel (Piper crocatum) Extract in Various Solvents

Alpha-glucosidase enzyme activity needs to be inhibited to avoid increasing blood sugar levels in diabetics. Red betel leaf extract is reported to have active compounds such as phenolics and flavonoids that have alpha-glucosidase enzyme inhibition activity. Previous research showed that 70% betel leaf extract has an ɑ-glucosidase enzyme inhibition activity of 69.84%, but it is not yet known how the effect of extracts with different levels of polarity on the inhibition activity of alpha-glucosidase enzyme. This study aimed to determine extracts that have optimal levels of phenolic and flavonoid content and the highest suppression of α-glucosidase activity. The multistage maceration method was used to extract red betel leaf simplicia using solvents with different levels of polarity (n-hexane, ethyl acetate, methanol). Tests were conducted on overall phenolic concentration, flavonoids, and ɑ-glucosidase inhibition ability. Data were analyzed using one-way ANOVA test with Tukey's further test (p<0.05). The results of the assessment of phenolic concentration, flavonoids, and α-glucosidase inhibitory activity as a whole showed statistically significant differences (p<0.05) in all extracts with the highest total phenolic and flavonoid content found in the n-hexane extract of 25.68 ± 0.29 mg GAE/g and 65.84 ± 0.96 mg QE/g respectively. Meanwhile, methanol extract of red betel leaf became the best extract in this study with the greatest inhibition among all extracts with a percent α-glucosidase inhibition value of 43.87 ± 1.83%.

Investigation of pyridine-bearing thiazolidinone derivatives as promising inhibitors of thymidine phosphorylase and α-glucosidase: Theoretical and computational approaches to develop multitarget drugs

The present study reports the new pyridine-containing analogs bearing thiazolidinone moieties (1–15), which were synthesized and their biological activity was assessed against thymidine phosphorylase and α-glucosidase enzymes. Some of the analogues with the same basic structure but different substituents were discovered to have strong potential against the targeted enzymes, while other analogues were found to have medium to moderate activity in the tested series. These analogues showed a varied range of inhibition in the case of thymidine phosphorylase, 1 (IC50 = 5.70 ± 0.20 µM), 5 (IC50 = 4.50 ± 0.50 µM), 6 (IC50 = 4.60 ± 0.20 µM) and 12 (IC50 = 6.30 ± 0.20 µM), compared with standard 7-Deazaxanthine, 7DX (IC50 = 32.68 ± 1.20 µM). Similarly, excellent inhibitory profiles were also shown by these analogues in the case of alpha-glucosidase inhibition activity, 1 (IC50 =1.80 ± 0.20 µM), 5 (IC50 =1.40 ± 0.10 µM) 6 (IC50 =2.50 ± 0.60 µM) and 12 (IC50 =3.10 ± 0.30 µM) when compared with standard drug acarbose (IC50 = 3.30 ± 1.30 µM). These analogues were also subjected to molecular docking studies against using the PDB id of 1UOU for thymidine phosphorylase (PDB Id: 1UOU) and alpha-glucosidase ((PDB Id: 3w37), for exploration of binding interactions of molecules with active site of the enzymes. ADME studies also predicted the drug-like properties of these analogues.

In vitro antioxidant and alpha-glucosidase inhibitory activities of coriander (Coriandrum sativum L.) root extracts

In vitro antioxidant and alpha-glucosidase inhibitory activities of coriander (Coriandrum sativum L.) root extracts

Kigelia africana fruit fractions inhibit in vitro alpha-glucosidase activity: a potential natural alpha-glucosidase inhibitor

BackgroundDiabetes affects 75% of people in low-income countries, where conventional drugs like metformin are available, but newer drugs like alpha-glucosidase inhibitors are not accessible to most Southern African patients.AimTo evaluate the α-glucosidase and α-amylase inhibitory activities of fractionated aqueous extracts of Kigelia africana fruit (KAFE) and their phytochemical fingerprints using gas chromatography-mass spectrometry (GC–MS).Materials and methodsWe studied K. africana fruit fractions' inhibitory effects on alpha-glucosidase and alpha-amylase using bioassay-guided fractionation, and analyzed their phytochemical profiles with GC–MS.Key findingsBoth the aqueous extract and ethyl acetate fraction of the aqueous extract exhibited a low dose-dependent inhibition of alpha-amylase activity (p < 0.0001). At a concentration of 500 μg/mL, the aqueous extract caused an alpha-glucosidase inhibition of 64.10 ± 2.7%, with an estimated IC50 of 193.7 μg/mL, while the ethyl acetate fraction had an inhibition of 89.82 ± 0.8% and an estimated IC50 of 10.41 μg/mL. The subfraction G, which had the highest alpha-glucosidase inhibitory activity at 85.10 ± 0.7%, had significantly lower activity than the ethyl acetate fraction. The most bioactive fraction was found to contain 11"(2-cyclopenten-1-yl) undecanoic acid, ( +)- and cyclopentane undecanoic acid as well as the indole alkaloids Akuammilan-17-ol-10-methoxy, N-nitroso-2-methyl-oxazolidine and epoxide Oxirane2.2″ -(1.4-butanediyl) bis-.ConclusionThe K. africana fruit fraction demonstrated significant alpha-glucosidase inhibitory activity, while its alpha-amylase inhibitory activity was limited. This study suggests a potential natural alpha-glucosidase inhibitor and phytocompounds that could serve as leads for developing antidiabetic agents.

Biological activity, chemical composition, and molecular docking of Eugenia punicifolia (Kunth) DC

AbstractThere is a significant effort to explore the potential pharmacological activity of natural products derived from plant extracts. The goal is to generate new compounds that could be used for therapeutic purposes. Eugenia punicifolia is a shrub that grows widely all over the world. As a natural cure for diabetes, fever, flu and inflammation, leaves of this medicinal plant are often used in decoction or aqueous infusion. The goal of the study was to record the molecular docking, antioxidant, chemical composition, and alpha-glucosidase inhibition of E. punicifolia. A number of parameters were evaluated in order to confirm its efficacy, including Total Phenolic Content (TPC), TFC (Total Flavonoid Content), FRAP (ferric reducing antioxidant power), DPPH radical scavenging activity, inhibition of α-glucosidase, chemical composition, and molecular docking. The leaf ethanolic exhibited robust antioxidant activity with respect to radical scavenging activity, TPC (Total phenolic content), reducing power, TFC (Total Flavonoid Content), and alpha-glucosidase inhibitory activity at concentrations of 26.7 µg/mL, 18.9 mmol/g, 11.9 mg GAE/g, 13.5 mg QE/g, and 18.9 µg/mL, respectively. In the ethanolic leaf extract, Z-8-Methyl-9-tetradecenoic acid (28.6%) was the main component. The five compounds (− 121.208 kcal/mol, − 120.465 kcal/mol, − 105.572 kcal/mol, − 104.497 kcal/mol, and − 102.256 kcal/mol) were selected as the top lead compounds, respectively. The lead compounds that were found had drug-like properties and were suitable for oral administration. In addition, it was noted that they exhibited non-toxic features and favorable ADME-Tox characteristics, except for compound 6, which displayed toxicity. The leaves exhibited potential applications in the food and pharmaceutical sectors.

Alpha-amylase and Alpha-glucosidase Inhibitory Activities of Philippine Indigenous Medicinal Plants

In the Philippines, medicinal plants still provide the first line of therapeutic remedies and their reported efficacy in traditional treatments provides an opportunity for drug discovery and development. The study aimed to evaluate in vitro commonly used Philippine medicinal plants for their alpha-amylase and alpha-glucosidase inhibitory activities as potential sources of antidiabetic agents. The study emphasised the inhibitory activities of 54 medicinal plants against α-amylase and α-glucosidase enzymes. The findings revealed 7 medicinal plants with the highest alpha-glucosidase inhibitory activity of ≥ 50% and 3 with alpha-amylase inhibitory activity of ≥ 20%. Ethyl acetate extract of Cycas sp. exhibited the highest α-glucosidase inhibitory activity with 83.87% ± 1.52 followed by the aqueous extract of cf. Calyptranthera sp. With 82.07% ± 0.14 with Acarbose as the reference standard (99.71% ± 0.63) at 10µg/mL (w/v) concentration. For the alpha-amylase inhibitory assay, the highest bioactivity was observed in ethyl acetate extract of Curcuma longa L. (39.44% ± 1.56) with Acarbose as the reference standard (51.59% ± 0.98) at 10µg/mL (w/v) concentration. These findings suggest the potential of the above-mentioned plants as sources of alpha-amylase and alpha-glucosidase inhibitors that may be used as antidiabetic agents.

Isolation, Characterization and Structure Elucidation of Antidiabetic Compound “2-({4-oxo-1H,2H,3H,4H,4aH-cyclopenta[b]pyridine-2-yl} methyl)-1H, 2H, 3H, 4H, 4aH-Cyclopenta[b]Pyridine-4-one” from the barks of Parkia timoriana (DC.) Merr.

Parkia timoriana (D.C.) Merr is a medicinal plant with long-known usage as a traditional medicine. This plant’s bark and pods have been used in medicine and food supplements. P. timoriana bark was extracted with ethyl acetate and purified using silica gel column chromatography. A pure compound, 2-({4-oxo-1H, 2H, 3H, 4H, 4aH-cyclopenta[b]pyridine-2-yl}methyl)-1H, 2H, 3H, 4H, 4Ah cyclopenta[b]pyridine-4-one (BCPP) was isolated and spectroscopic analysis was performed to determine its chemical structure. Antidiabetic studies were conducted using Bis-Cyclopenta-Pyridin (BCPP) for its enzymatic inhibition. In vitro cell culture assays, gene expression studies and in silico docking studies were done to ascertain the antidiabetic activity. P. timoriana bark was extracted using the solvents based on its polarity: hexane, ethyl acetate and methanol. At a 125 μg/ml concentration, BCPP demonstrated 75% inhibition of alpha-amylase, 74% inhibition of alpha-glucosidase and a 59% increase in glucose uptake by yeast cells (3.3 ± 0.0058 at 125 μg/ml). BCPP increased the expression of the PPARγ gene in 3T3-L1 cells by 0.23-fold. There is an increase in fold change of PPAR- γ at 25 μg/ml – 0.11-fold; at 50 μg /ml – 0.25-fold; at 75 μg /ml – 0.37-fold; 100 μg /ml – 0.73-fold; and at 125 μg/ml, there is an upregulation of 1.10-fold in 3T3-L1 cells. In silico docking studies confirmed the alpha-amylase and alpha-glucosidase inhibitory activities of BCPP. This study suggests the application of BCPP as a potential antidiabetic agent that can be used in drug design and pharmaceutics.

Screening In Silico Alpha-amylase and Alpha-glucosidase Inhibitory Activity of Flavonoid Compounds for the Treatment of Type 2 Diabetes

Diabetes mellitus (diabetes) is a chronic disease associated with metabolic disorders and hyperglycemia. α-glucosidase and α-amylase, which play an important role in the hydrolysis of starch and carbohydrates, are enzymes. They are related to the increase and decrease in blood glucose levels. Flavonoids are a common group of natural compounds that have been shown to have many beneficial health effects. This study used molecular docking methods and drug-like criteria, predicting pharmacokinetics-toxicity (ADMET) to screen and evaluate potential flavonoid compounds in the treatment of type 2 diabetes. After screening the compounds, we obtained 46 compounds with lower binding energies than the positive controls, which are acarbose. Using Lipinski's rule of five, we evaluated the drug-likeness of the compounds and identified 12 compounds that met the criteria. Then, continuing to analyze according to pharmacokinetic and toxicological parameters (ADMET), we obtained 3 compounds including Galangin, Maackiain, and Corylin, that have the potential to be developed into drugs when showing the ability to simultaneously inhibit both enzymes α-glucosidase and α-amylase have positive properties: binding energy is lower than the control, creates many interactions with target proteins in the active site, has drug-like properties, relatively good pharmacokinetic properties and low toxicity. Therefore, further in vitro and in vivo studies are needed to develop these potential compounds into drugs for the treatment of type 2 diabetes.&#x0D; &#x0D; &#x0D; &#x0D;

Exploring the therapeutic mechanism of potential phytocompounds from Kalanchoe pinnata in the treatment of diabetes mellitus by integrating network pharmacology, molecular docking and simulation approach

Since ancient times, bioactive phytocompounds from different parts of medicinal plants have been used to heal various disease ailments and they are now regarded as a valuable source of disease prevention globally.Kalanchoe pinnatais a member of the Crassulaceae family; it has a long history of usage in traditional ayurvedic treatment. Analysis of bioactive compounds for their potential anti-type-2 diabetes mellitus (T2DM) mechanism along within-vitroandin-silicoapproaches was studied in the present research. The alpha-amylase and alpha-glucosidase inhibitory activity of methanolic extract of Kalanchoe pinnata (α-amylase: IC50 29.50 ± 0.04 μg/ml; α-glucosidase IC50 32.04 ± 0.35 μg/ml) exhibit a high degree of similarity to the standard drug acarbose (IC50 35.82 ± 0.14 μg/ml). Different biological databases were used to list phytocompounds from the plant, and ADME analysis using swissADME was carried out to screen compounds that obeyed the Lipinski rule of 5 and were employed further. STRING and KEGG pathway analysis was performed for gene enrichment analysis followed by network pharmacology to identify key target proteins involved in DM. AMY2A, NOX4, RPS6KA3, ADRA2A, CHRM5, and IL2 were identified as core targets for luteolin, kaempferol, alpha amyrin, stigmasterol compounds by modulating neuroactive ligand interaction, P13-AKT, MAPK, and PPAR signaling pathways. Molecular docking was performed to study the binding affinity among bioactive compounds ofK. pinnataagainst aldose reductase, alpha-amylase, alpha-glucosidase, and dipeptidyl peptidase IV. Alpha-amylase-friedelin [FRI] and alpha-amylase-acarbose [STD] complexes were subjected to molecular simulation for a 200 ns duration that depicted the stability of the compounds and proteins. In the current study, employing dual approach in-silico and in-vitroenzyme assays has yielded a comprehensive and strong understanding of its potential therapeutic properties, making a significant step towards the development of novel anti-diabetic treatment.

SCREENING OF ALPHA-GLUCOSIDASE INHIBITORY ACTIVITY FROM TWO PRODUCTS OF THE CAPSULIZED JAMU CINNAMON EXTRACT (CINNMOMUM BURMANNII)

&#x0D; Cinnamon (Cinnamomim burmannii) found in the markets, comes in many forms with one of them being a type of jamu which the cinnamon dust is capsulized. The capsulized jamu is claimed to be beneficial on treating diabetes melitus. The effects of antidiabetics on some products of the capsulized jamu is suspected to work through the alpha-glucosidase enzyme inhibition activites contained in them. The aim of this research is to verify the activities of some capsulized cinnamon dust extract in jamu (C. burmannii) found in the markets on its effect to inhibit alpha-glucosidase activity and to know its IC50 value. Experiment is done by using analytic experiments using two different products (product A and product B) and by using acarbose 50mg as a positive control factor. Enzyme activity are then calculated using UV-Vis spectrophotometer on a 410 nm wavelength. The result of this research is alpha-glucosidase enzyme inhibition activity found in product A and B are 155,104 µg/mL and 6.795,893 µg/mL, wherease the acarbose as a positive control are 47,466 µg/mL. The conclusion of this research is alpha-glucosidase enzyme inhibition activity found on the products as IC50 shows that product A has a better alpha-glucosidase enzyme inhibition activity than product B. However, when compared to the acarbose as the positive control, product A has a lesser alpha glucosidase enzyme inhibition activity.&#x0D; Kata kunci : Cinnamomum burmannii, diabetes mellitus, alpha glucosidase inhibition.&#x0D; &#x0D;

In Vitro Evaluation of Alpha Amylase and Alpha Glucosidase Inhibitory Activity of Kamadhenu Ark extracts of Climate Smart Crop Millets

Diabetes Mellitus is characterized by abnormal Metabolism of glucose. The maintenance of glucose levels in blood without any side effects is still challenging in the medication of this disease. Various medical approaches like Allopathy, Homeopathy, Ayurveda, Unani etc are striving a lot for success in this field of medication. Present study is aimed to evaluate the Antidiabetic activity of Millets in combination with Kamadhenu Ark as solvent for the probable alpha Amylase and alpha Glucosidase inhibitory activities to reduce hyperglycemia. The Millets namely Paspalum scrobiculatum, Panicum miliaceum, Panicum sumatrense were selected for the study. The Kamadhenu Ark Extracts were prepared by Maceration method. The extracts were used for the estimation of alpha amylase and alpha-glucosidase inhibition activity. Extract of Panicum miliaceum exhibited highest α amylase and α glucosidase inhibitory potential with IC50 values of 0.239 and 1.526 mg/ml, respectively, which was comparable with acarbose (0.258 and 1.985 mg/ml). Extracts of Paspalum scrobiculatum and Panicum sumatrense have shown low activity. Present study paves a new path revealing the effective inhibition of α amylase and α glucosidase by Kamadhenu Ark extract of Panicum miliaceum (Proso Millet KPM).

Myanmar traditional medicine formulations and their antioxidant, antiglycation and alpha-glucosidase inhibitory activities: Potentials for antidiabetes complications

Myanmar traditional medicine formulations and their antioxidant, antiglycation and alpha-glucosidase inhibitory activities: Potentials for antidiabetes complications

Alpha-glucosidase inhibitory compounds from Vietnamese lichen Usnea baileyi: in vitro and in silico aspects.

Using a bio-guided isolation on the Vietnamese lichen Usnea baileyi based on alpha-glucosidase inhibition, eleven compounds were isolated and structurally elucidated, namely, protocetraric acid (1), 8'-methylstictic acid (2), stictic acid (3), 4,6-diformyl-8-hydroxy-3-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid (4), vicanicin (5), norstictic acid (6), diffractaic acid (7), barbatic acid (8), atranol (9), 5-chlorohaematommic acid (10), and eumitrin A1 (11). Their chemical structures were identified by extensive 1D and 2D NMR analysis and high-resolution mass spectroscopy and compared with those reported in literature. Protocetraric acid (1) and norstictic acid (6) were selected for further modification to derive new compounds, namely, 1a-1e and 6a. Both isolated and synthesized compounds were assessed for their alpha-glucosidase inhibitory activity. Compounds 1-6, 1a-1e, 6a, and 11 showed significant alpha-glucosidase inhibition with IC50 values ranging from 10.4 to 130 μM. Molecular docking was applied to the most active compounds 1-3, 6, 1a-1e, and 6a to clarify the inhibitory mechanism. Compound 1e was determined to be a mixed inhibitor through a kinetic study.

In vitro and in silico studies of alpha glucosidase inhibition and antifungal activity of coffea canephora husk.

The coffea canephora husk, a protected agricultural crop, is abundant in Vietnam. Examining the effects of C. canephora husk compounds on α-glucosidase and antifungal drug activity was the primary objective of this research. A cholestane-type steroid, coffeacanol A (1), was extracted from the ethyl acetate extract. Three cholestane-type derivatives (2-4) and three additional known compounds (5-7) were separated, and we used a variety of chromatographic techniques to identify a total of six substances. We used NMR to determine the chemical structures of these substances. Extensive HR-MS-ESI analysis and NMR experimental data were used to confirm the structure of the novel metabolite (1). The cholestane-type steroid was initially discovered in the Coffea canephora husk, marking the first instance in the coffee plant family to reveal chemical structures (1-7). The inhibition of α-glucosidase was found to be significantly higher in all compounds tested, with the exception of compounds (2) and (5). In vitro, the positive control showed the lowest inhibition, and the range of IC50 values was calculated to be 27.4 to 96.5 μM, which is lower than the IC50 value of 214.50 μM for the acarbose control. With an IC50 value of 27.4 μM, compound (7) showed the greatest capacity to inhibit α-glucosidase among the test compounds. The 3TOP and 2VF5 enzyme crystal structures were used for in silico docking investigations and validations of compounds (1-7). In silico calculations to explain how compound (7) shows high activity in vitro via the enzyme inhibition mechanism by residual amino acids, like Gly 1102 (B chain) and Glu 1095 (B chain), and their relative interaction with compounds (7) and acarbose. Compound (7) exhibited the best antifungal activity against Candida albicans fungus among three fungi, namely Candida albicans, Trichophyton mentagrophytes, and Trichophyton rubrum, with a MIC value of 25 μM. Compound (7) and fluconazole combined to form similar interactions in the contact ligand model, including the functional group, capping group, and linker part, which interacted fully with the 2VF5 enzyme, leading to effective in vitro inhibition.

Phytochemical Screening and Evaluation of Pharmacological Potential of Baliospermum solanifolium Leaf Extract

BackgroundBaliospermum solanifolium is a traditional medicinal plant, locally known as “dantigaacha” from Euphorbiaceae family, and has been used in different diseases treatments likes helminthiasis, skin diseases, diabetes, snake-bite, and leukoderma. ObjectivesDepending on the traditional uses of B. solanifolium and the lack of scientific works, we aimed to conduct some pharmacological tests on its leaves. MethodsActive constituents of B. solanifolium were assessed by qualitative screening. DPPH (2,2-diphenyl-1-picrylhydrazyl) was used for free radical scavenging assay. Behavioral change and mortality rate were used as indicators to assess the toxicity of B. solanifolium. The antidiabetic potential was evaluated by oral glucose tolerance test (OGTT) and alpha-glucosidase enzyme inhibitory activity. In antidiarrheal activity, castor oil-induced mice were used. Antibacterial test was carried out by disk diffusion assay and MIC determination. Furthermore, analgesic activity was done by acetic acid-induced writhing method. ResultsB. solanifolium contains alkaloids, carbohydrates, glycosides, flavonoids, tannis, phenolics etc. Acute toxicity test ensured the safety of the extract. In DPPH, the extract showed antioxidant activity with an IC50 (concentration needed to scavenge 50% DPPH) value of 61.65 µg/mL. Total phenolic, flavonoid and tannin contents were determined as 124 mg GAE/g, 440 mg QE/g and 344 mg GAE/g dried extract, respectively. In OGTT, the extract reduced the blood glucose level significantly. In the alpha-glucosidase inhibitory activity, the plant showed a concentration-dependent reduction of the enzyme at IC50 of 8.53 mg/mL. In the antidiarrheal test, B. solanifolium inhibit defecation 30.69% and 53.41% at dose 250 mg/kg and 500 mg/kg, respectively. The extract also showed antibacterial activity against four bacterial strains in the disk diffusion method and minimum inhibitory concentration (MIC) values were 62.5 µg/mL, 62.5 µg/mL, 125 µg/mL and 62.5 µg/mL against four bacterial strains, independently. In analgesic activity test, the extract reduced the writhing impulse up to 48.51% at 500 mg/kg dose. ConclusionB. solanifolium contains many active phytoconstituents which may be the possible candidates for targeting diabetes, microbial infection, diarrhea and pain in the future.

Ferruginoside D: A Novel Phenylethanoid from Verbascum leiocarpum.

A novel phenylethanoid, ferruginoside D, together with fourteen known compounds were isolated from the Verbascum leiocarpum for the first time. Chemical structures of isolated compounds were determined by spectroscopic analysis including HR-ESI-MS and NMR spectra. The antioxidant, α-glucosidase inhibitory properties, and antiproliferative activities against multiple cell lines (A172, C6, HeLa, A2780, SW620, HT29, Beas2B, RPE, and HSF) of the isolated compounds were evaluated in vitro. According to the results, iridoids, flavonoids (luteolin and apigenin), and phenylethanoids (poliumoside and isoverbascoside) with strong antiproliferative potential were also found to have cytostatic effects. Furthermore, the investigation revealed that compounds luteolin, poliumoside, verbascoside, isoverbascoside, ferruginoside C, ferruginoside D, and ursolic acid show potent alpha-glucosidase inhibitory activity, while compounds luteolin, verbascoside, and isoverbascoside exhibit substantial antioxidant activity. The new compound (ferruginoside D) was found moderately active against cancer cell lines, with strong alpha-glucosidase inhibitory activity, and moderate antioxidant properties.