Α-glucosidase Enzyme Inhibition Research Articles

Phytochemical profiling from Dioscorea bulbifera L. bulbils using LC-MS, proximate analysis and antidiabetic activity: in vitro and in silico approaches

ABSTRACT The nutritional value and medicinal properties of highly edible Bulbils of Dioscorea bulbifera L are still unexplored. This study reported the nutritional and medicinal values by In vitro, and In silico studies along with chemical profiling using LC-MS. The proximate analysis was conducted by the AOAC method. The antioxidant and antidiabetic activities were assessed using DPPH and α- α-glucosidase enzyme inhibition assay. Molecular docking was used to do an In silico examination of the identified molecules, and ADMET analysis of the hit candidate was also performed. The result showed that bulbils of D. bulbifera were found to have a higher percentage of protein (8.83%), fat (0.96%), and fiber (5.40%). It exhibited significant levels of phenolic and flavonoid content 106.93 ± 0.02 mg GAE/g and 11.51 ± 0.02 mg QE/g, respectively. The ethyl acetate fraction of D. bulbifera showed potent antioxidants with an IC 50 = 13.75 ± 0.6 μg/mL. Furthermore, the methanol extract showed more than 50 % inhibition activity with IC 50 values of 26.29 ± 0.6 μg/mL and 191.2 ± 0.7 μg/mL against α-glucosidase and α-amylase, respectively. The ethyl acetate fraction showed higher α-glucosidase and α-amylase inhibitory activity with an IC 50 of 14.42 ± 0.4 μg/mL and 171.5 ± 0.4 μg/mL, respectively, compared to the standard acarbose (p < 0.05). Chemical profiling of most bio-active ethyl acetate fraction was done using LC-MS analysis, where eleven compounds were annotated. In conclusion, bulbils of D. bulbifera demonstrate promising anti-diabetic activity through In vitro and In silico studies.

Phytochemistry, antioxidant and anti-diabetic activities of Sterculia villosa in-vitro

ObjectiveAs ongoing research continues, many antidiabetic agents still have many side effects which is the reason why more and more people resort to traditional medicines such as Traditional Chinese Medicine (TCM). There are many Therapeutic Species of Sterculia spp. that are commonly used in TCM practices. Here, we have studied one of such TCM herbal plants, namely Sterculia villosa Roxb. (Chinese: 绒毛苹婆), for its antidiabetic potential. In this way, the study intends to assess its effectiveness and examine its suitability as a raw natural medicine for diabetes management in traditional medicine. MethodIn-vitro anti-diabetic property was evaluated by α-amylase and α-glucosidase enzyme inhibition and glucose uptake assays. Metabolomic profiling by GC-MS was conducted to determine the probable phyto-constituents in S. villosa. These phyto-compounds were further subjected to in-silico molecular docking studies, identifying stigmasterol as the most potent anti-diabetic phyto-compound. Glucose uptake efficacy was estimated by a fluorescence microplate reader employing glucose analog 2-NBDG. Molecular dynamic studies (MDS) were carried out with GROMACS to comprehend the protein-ligand binding stability. ResultsStigmasterol showed enhanced enzyme inhibition for both α-amylase (IC50 23.84±1.37 μM) and α-glucosidase (IC50 39.56±1.5 μM). Line-weaver Burk plot revealed competitive and mixed modes of inhibition for α-amylase and α-glucosidase, respectively. The GC-MS analysis identified 23 vital phyto-compounds present in the methanolic extract of the S. villosa leaves. Upon screening against crucial anti-diabetic proteins by in-silico molecular docking, stigmasterol followed by lupeol, Stigmasta-3,5-diene, and γ-sitosterol were found to be the most effective lead compounds. Stigmasterol also showed potent hypoglycaemic efficacy, as evidenced by augmentation of 2-NBDG glucose uptake in 3T3-L1 cells. The docking and simulation studies against four crucial anti-diabetic targets, α-amylase, α-glucosidase, GLUT 4, and IRS-1, predicted that stigmasterol exhibits a multi-pronged anti-diabetic activity mediated by α-amylase inhibition and activation of IRS1 pathway, simultaneously. The MDS studies highlighted that stigmasterol showed stable interactions with these four proteins, as evidenced by the RMSD, RMSF and hydrogen bond analysis. ConclusionThe results of this study are intriguing, as they identify stigmasterol, sourced from the medicinal plant S. villosa, as a potential breakthrough in the field of diabetic remediation. This discovery paves the way for further research and development of stigmasterol as a more effective and safer treatment for diabetes.

Antidiabetic Bioactivity of Ethyl Acetate Extract of Fungus Comb

The ethyl acetate extract of fungus comb was investigated for its potential as an α-glucosidase enzyme inhibition agent. The extract was evaluated using bioassay methods to determine its IC50 values against enzyme activity, alongside phytochemical screening to identify active compounds. The optimal concentration of α-glucosidase enzyme was determined to be 0.06 U/mL. Results indicated that the extract and its fractions exhibited α-glucosidase enzyme inhibition activity, albeit with IC50 values higher than the positive control, acarbose. Fractions containing phenol-hydroquinone showed the most vigorous activity, while fractions containing saponins displayed varied activities, possibly due to contaminants interfering with enzyme interactions. This study highlights the potential of the fungus comb extract as a promising source for developing antidiabetic agents.

Phenylsulfonylpiperazines as α-Glucosidase Enzyme Inhibitors: Design, Synthesis, DFT Calculations, Docking and ADME Studies

Diabetes Mellitus (DM), tüm dünyada insanları etkileyen en yaygın hastalıklardan biridir. Kandaki düşük insülin seviyeleri ve yüksek glikoz seviyeleri ile karakterizedir. DM'nin önemli bir tedavisi a-glikosidaz enziminin inhibisyonudur. Piperazin ve sülfonamid yapılarının çeşitli biyolojik aktiviteleri bilinmektedir. Bu çalışmada beş adet fenilsülfonil piperazin türevi sentezlenip enzim inhibisyon kapasiteleri değerlendirildi. Sentezlenen moleküller (1-5), a-glukosidaz enziminin iyi derecede inhibe ettiği görüldü. Bileşik 1, a-glukosidaz enzimi için en yüksek inhibisyon potansiyeline sahiptir. İnhibisyon yüzdesi (83,52±0,41), referans molekül olan quercetine (81,41±0,02) göre daha yüksektir. Olası protein-ligand etkileşimlerini belirlemek amacıyla a-glukosidaz enzimi için en güçlü bileşik 1 için silico moleküler yerleştirme çalışmaları yapıldı. Ayrıca kuantum mekanik ve elektronik özelliklerinin değerlendirilmesi için bir DFT çalışması yapılmıştır. Son olarak bileşiklerin ADME profilleri teorik olarak analiz edildi.

Phytochemical composition of &lt;i&gt;Eriobotrya japonica&lt;/i&gt; (Rosaceae) leaves extracts from central Veracruz, Mexico, and its effect on α-glucosidase enzyme inhibition

Background: Eriobotrya japonica is economically significant as an ornamental tree, and its leaves have medicinal properties. Question: What are the main chemical components of loquat leaves grown in a population of Central Veracruz Mexico? and does the methanolic extract have potential antidiabetic properties through α-glucosidase inhibition? Species study: Eriobotrya japonica (Thunb.) Lindl. (Rosaceae) Study site and date: Xalapa, Veracruz, Mexico, 2021-2022. Methods: Total carbon (C) and nitrogen (N) content, phosphorus (P), sodium (Na), potassium (K), calcium (Ca), and magnesium (Mg) were determined in leaves powder. Leaf methanol extract of E. japonica was tested for α-glucosidase inhibition. Also, different groups of secondary metabolites were detected by the phenolics/volatile-targeted metabolomic analysis. Results: The leaves of E. japonica are rich in C and minerals such as Na, K, Ca, and Mg, and contain high levels of flavonoids, and procyanidin B2. The leaf methanol extract (LME) effectively inhibited α-glucosidase activity (86.05 ± 0.73 %) in vitro. In addition, a leaf petroleum ether extract (LPE) contains mainly phytol, palmitic acid, linoleic acid, stearic acid, and phytol acetate. Conclusions: The leaf methanolic extract exhibited antidiabetic potential due to its potent α-glucosidase inhibition, and the presence of diverse phenolic compounds, including flavonoids and their glycoside derivatives, and some fatty acids further supports the traditional use of E. japonica as an herbal medicine with antidiabetic properties.

Cookies Fortified with Polyphenols Extracts: Impact on Phenolic Content, Antioxidant Activity, Inhibition of α-Amylase and α-Glucosidase Enzyme, Colour and Sensory Attractiveness.

The goal of the research was to determine the impact of fortification with polyphenolic compounds on (i) sensory attractiveness (global satisfaction, appearance, colour, odour, flavour, sweetness, bitterness), (ii) content of polyphenols and colour (L*, a*, b*) after the baking process and (iii) their bioactive potential (antioxidants activity and inhibiting of α-amylase and α-glucosidase enzyme). Fortification was made with extracts of polyphenolic compounds of selected plant raw materials rich in polyphenols from quince (fruits), tilia (flowers), pomegranate (skin), passion fruit (endocarp), sour cherries (leaves), haskap and chokeberry (berries), silver skin (coffee beans), rosehip (seeds). Depending on the nature of the polyphenol extract, flavan-3-ols (monomeric and polymeric), phenolic acid, flavonols and anthocyanins were identified in the product in amounts ranging from 53.7 to 212.6 mg/100 g DM. Cookies' colour (L*, a*, b*) depended on the type of polyphenol extract used for fortification. Cookies with haskap, chokeberry and sour cherry presented the highest antioxidant potential. Cookies with chokeberry, haskap and rosehip presented high activity in inhibiting α-amylase (65.5, 60.6 and 62.2% of inhibition, respectively), but cookies with haskap, silver skin and quince in inhibiting α-glucosidase activity (23.0, 20.4 and 21.4% of inhibition, respectively). In the sensory evaluation, the most attractive were cookies with rosehip and pomegranate (6.3 and 5.8 score, respectively), but the lowest ratings were given to cookies with passion fruit and silver skin but especially quince cookies, which obtained the lowest desirability (3.7 score). The acceptability of fortified cookies was determined to the least extent by monomeric flavan-3-ols and phenolic acids (in minus in odour/flavour, bitterness, sweetness and global satisfaction), but anthocyanins, polymeric procyanidins and flavonols had the most significant positive impact on consumer acceptance of the assessed features, i.e., global satisfaction, odour/flavour, sweetness and bitterness (positive consumer drivers).

Synthesis of furo[2,3-c]carbazoles as potent α-glucosidase and α-amylase inhibitors

The carbazole-3-carbaldehyde 2, produced by N-ethyl carbazole via Vilsmeier-Haack reaction, was subjected to Dakin type oxidation with H2O2 and H2SO4 in methanol to produce the carbazole-3-ol 3. The reaction of 3 with a range of commercially available α-haloketones 4a–f in the presence of Al2O3 as catalyst in xylene led to their regio-selective cyclization to afford the furo[2,3-c]carbazoles 5a–f. Identification of the furo[2,3-c]carbazoles 5a–f were performed through 1H NMR,13C NMR, FT-IR and high resolution mass spectrometry. Single crystal X-ray diffraction analysis was employed to further confirm the structures of the some of the targeted compounds. In vitro antidiabetic activities of the newly synthesized furocarbazoles 5a–e were investigated utilizing α-glucosidase and α-amylase enzymes. The biological evaluation revealed the obvious efficiencies of the targeted molecules toward the α-glucosidase enzyme inhibition with the potent IC50 values compared to the standard acarbose. In the case of α-glucosidase inhibition, the furo[2,3-c]carbazoles chloro substituted 5c and nitro substituted 5f were found to be more potent than acarbose with the values of 215.0 and 162.70 μM, respectively. On the other hand, the compound 5f was found to be only promising candidate for α-amylase enzyme but not as effective as the standard acarbose.

Novel triterpenoid, Schidigeragenin B resourced from the mother tincture of Conium maculatum: A promising future Antidiabetic drug

As of 2021, an estimated 537 million people had diabetes worldwide, accounting for 10.5 % of the adult population, with type 2 making up about 90 % of all cases. The common antidiabetic drugs have several problems like hypoglycemia, skin rash and itching, weight gain, kidney complications, etc. So, there is a need to explore safer alternative medications from natural sources. This study examines the antidiabetic potential and metabolomic profiling of Conium maculatum, a homeopathic medicine prescribed for diabetic patients. Potent DPPH scavenging of the sample was observed with an IC50 value of 75.05 ± 6.33 μg/mL. α-Amylase and α-glucosidase enzyme inhibition by the mother tincture of Conium maculatum was evaluated through in-vitro studies, highlighting effective antidiabetic activity with IC50 values of 86.53±1.76 μg/mL and 124±7.903 μg/mL, respectively. Metabolomic profiling of the mother tincture of Conium maculatum was done by LC-MS/MS to identify a total of 47 phyto-compounds that were subjected to ADMET profiling, followed by in-silico docking and MDS with target receptors associated with diabetes. Six compounds were short-listed for in-silico docking studies with five target proteins, α-amylase, α-glucosidase, GLUT-4, GLP-1, and IRS1. Three compounds, Schidigeragenin B, 10-oxo-11-octadecen-13-olide, and Distichonic acid A, showed strong binding affinities to these protein receptors, crucial for diabetes remediation. Among these compounds, Schidigeragenin B, a novel triterpenoid shows the strongest binding affinities towards these receptors, and the ADMET properties highlighted its drug likeness. Conclusively, the present study identified Schidigeragenin B, resourced from the mother tincture of Conium maculatum, as the potent bioactive antidiabetic molecule for combating diabetes.

In silico studies of bis-spiro- and Furano-Labdane diterpenoids from Rydingia persica Scheen (Otostegia persica) as α-glucosidase enzyme inhibitor

The inhibition potential of α-glucosidase enzyme by crude- dichloromethane, methanol, and ethanol -extracts of Rydingia persica were evaluated using colorimetric method. We have isolated four labdane diterpenoids: 15, 16- epoxy-3α, 7β, 9α -trihydroxylabdan-13- (16), 14-dien-6-one (1), 15, 16- epoxy-3α, 7α, 9α -trihydroxylabdan-13- (16), 14-dien-6-one (2), 9, 13, 15, 16-diepoxy- 3α, 7β, 15α (β)- trihydroxy-labdan- 6 one (3, 4) from the most potent enzyme inhibitor fraction; the ethyl acetate soluble part of ethanol extract of the aerial parts of R. persica. The structures of the compounds were elucidated by their 1H and13C NMR and ESIMS spectral data analyses. The enzyme inhibition potential of the compounds was evaluated against acetylcholine esterase (AChE) and α-glucosidase by simulation studies. The predicted binding energy of most diterpenes towards mouse AChE enzyme was low, while the binding energy of diterpenes towards α-glucosidase enzyme was moderate to potent.

A Computational Approach of Anti-diabetic Potential Evaluation of Flower and Seed of Nyctanthes arbor tristis Linn

Exploring the medicinal significance of bioactive compounds through computational methods is an increasingly practiced approach in contemporary medicinal research. This study aims to assess the antidiabetic potential of compounds extracted from the plant Nyctanthes arbor tristis by evaluating their ability to inhibit the carbohydrate metabolic enzyme α-glucosidase. The research work was conducted through molecular docking calculation, molecular dynamics simulation (MDS), and ADMET prediction techniques. Among the compounds, arbortistoside-C (NAS03), and arbortristoside-D (NAS04) found in the seed of the plant were identified as hit inhibitors of the target protein with docking scores, -9.9 and -9.4 kcal/mol, respectively. The compounds showed a comparable docking score with the drug of diabetes acarbose (-8.6 kcal/mol). Geometrical parameters like radius of gyration, solvent accessibility surface, root mean square deviation, and root mean square fluctuation from MDS supported the stability of the protein-ligand complex. MMPBSA calculations demonstrated the stability and feasibility of the complex with binding free energy changes of -29.06±6.06 and -23.58±8.80 kcal/mol for compounds NAS03 and NAS04, respectively. The ADMET prediction suggested the drug-likeness of the compounds compared with that of the standard drugs. The results could be used in proposing the antidiabetic potential of the two compounds from the plant as a potential inhibitors of α-glucosidase enzyme. Further, in vitro and in vivo experiments on such compounds could be a more reliable path to validate the output of this computational research.

The Leaf Extract of Dysoxylum parasiticum (Osbeck) Kosterm. Contains Anti-oxidant and α-Glucosidase Inhibitor Activities

The medicinal plant Dysoxylum parasiticum (Osbeck) Kosterm. (Meliaceae) is native to Indonesia, but its bioactive potential has been little explored. This study de- termined the phenolic content, antioxidant, and antidiabetic activities of D. parasitic- cum leaf extracts. Dried, powdered leaves were sequentially extracted with hexane, ethyl acetate, and methanol. Total phenolic and flavonoid contents were quantified by colorimetric assays. The ethyl acetate extract had the highest phenolic content at 21.54 mg gallic acid equivalents/g dry weight. Antioxidant capacity was evaluated by DPPH radical scavenging assay, while antidiabetic activity was assessed as inhibition of α-glucosidase enzyme. The ethyl acetate extract showed potent antioxidant (IC50 30.72 μg/mL) and α-glucosidase inhibitory (IC50 16.32 μg/mL) activities compared to standard controls. Putative bioactive components were identified by LC-MS/MS, including stylosin, capillartemisin A, 19β-glucosyl-14-deoxy-11,12- didehydroandrographoside, daturametelin H, stigmas-3,6-dione, 2α,3β,4α-trihy- droxy nortropane and arnebinone. The traditional use of D. parasiticum is validated by its antioxidant and anti-diabetic potential, which is associated with its phenolic content.

In vitro and in silico assessment of antidiabetic and antioxidant potencies of secondary metabolites from Gymnema sylvestre

This study investigated the chemical constituents, antioxidant potential, and in vitro and in silico antidiabetic activity of Gymnema sylvestre. Column chromatography and spectroscopic techniques identified twelve compounds from the methanol extract, including 4 sterols (1–4), 5 triterpenoids (5–9), and 3 flavonoids (10–12). The chemophenetic significance of all compounds was also investigated. The antioxidant capacity of the extract and compounds (1–4) was evaluated using FRAP and DPPH assays. The extract exhibited strong free radical scavenging activity (IC50 = 48.34 µg/mL), while compounds (1–4) displayed varying degrees of efficacy (IC50 = 98.30–286.13 µg/mL). The FRAP assay indicated significant reducing power for both extract and compounds (58.54, 47.61, 56.61, and 49.11 mg Eq.VitC/g for extract and compounds 1 &2, 3, and 4, respectively). The antidiabetic potential was assessed through α-amylase and α-glucosidase enzyme inhibition assays. The crude extract demonstrated the most potent inhibition (IC50 = 218.46 and 57.42 µg/mL for α-glucosidase and α-amylase respectively) suggesting its potential for managing postprandial hyperglycaemia. In silico studies employed molecular docking and dynamics simulations to elucidate the interactions between identified compounds and α-amylase/α-glucosidase enzymes. The results revealed promising binding affinities between the compounds and target enzymes, with compound 6 demonstrating the highest predicted inhibitory activity with −10 kcal/mol and −9.1 kcal/mol for α-amylase and α-glucosidase, respectively. This study highlights the presence of diverse bioactive compounds in Gymnema sylvestre. The extract exhibits antioxidant properties and inhibits carbohydrate-digesting enzymes, suggesting its potential as a complementary therapeutic approach for managing hyperglycaemia associated with type 2 diabetes.

Antiglycating Effects of Spirulina platensis Aqueous Extract on Glucose-Induced Glycation of Bovine Serum Albumin.

Glucose, the predominant carbohydrate in the human body, initiates nonenzymatic reactions in hyperglycemia, potentially leading to adverse biochemical interactions. This study investigates the interaction between glucose and Bovine Serum Albumin (BSA), along with the protective effects of Spirulina platensis PCC 7345 aqueous extract. Phycobiliproteins (phycocyanin, phycoerythrin, and allophycocyanin) in the extract were quantified using spectrophotometry. The extract's anti-glycation potential was assessed by analyzing its effects on albumin glycation, fluorescent advanced glycation end products (AGEs), thiol group oxidation, and β-amyloid structure generation. Additionally, its antidiabetic potential was evaluated by measuring α-amylase and α-glucosidase enzyme inhibition. Results indicate that the Spirulina extract significantly mitigated ketoamine levels, fluorescence, and protein-carbonyl production induced by glucose, demonstrating a 67.81 % suppression of AGE formation after 28 days. Moreover, it effectively inhibited amyloid formation in BSA cross-linkages. These findings suggest the potential of S. platensis as an anti-glycation and antidiabetic agent, supporting its consideration for dietary inclusion to manage diabetes and associated complications.

Effect of intermolecular interactions and pharmacokinetic profile of antidiabetic agent (E)-N,N‑diethyl-2-(5(3‑hydroxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl) acetamide

Diabetes is a prevalent disease in South India, posing a severe threat to public health. To tackle this issue, researchers are focusing on developing multi-targeted ligands, and one promising candidate is (E)-N,N‑diethyl-2-(5(3‑hydroxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl)acetamide (DMDA). Geometry optimization of DMDA was carried out using density functional theory with 6–311+G(d, p) basis set to develop a theoretical model close to the previously synthesized and reported DMDA. Natural Bond Orbital analysis was conducted to scrutinize the phenomena of charge delocalization and electronic exchange interactions governing both intermolecular and intramolecular associations. Moreover, the vibrational characteristics of the molecule were elucidated through FT-IR and FT-Raman spectra. Lowest Unoccupied Molecular Orbital and Highest Occupied Molecular Orbital have also been explored to enhance understanding of the molecule's electronic structure and reactivity. Hirshfeld surface analysis was utilized to investigate the interactions between molecules within the crystalline lattice. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis elucidates the potential pharmacokinetic profile of DMDA. Molecular docking was performed to predict the binding site responsible for various interactions with the targeted protein. By combining these techniques, a comprehensive molecular description of DMDA has been generated.There are three prominent intramolecular interactions within the ambit of van der Waals radii, leading to stability of the molecule. The presence of a broad and shallow band with a significant red shift provides evidence for the strong intermolecular OH hydrogen bonding. DMDA complies with Lipinski's Rule of Five, highlighting its favorable characteristics for pharmaceutical efficacy. The negative binding energies determined by docking studies ascertain the potential sites of ligand-protein interaction leading to inhibition of α-amylase and α-glucosidase enzyme.

A Review on the Development of Novel Heterocycles as α-Glucosidase Inhibitors for the Treatment of Type-2 Diabetes Mellitus.

One of the most effective therapeutic decencies in the treatment of Type 2 Diabetes Mellitus is the inhibition of α-glucosidase enzyme, which is present at the brush border of the intestine and plays an important role in carbohydrate digestion to form mono-, di-, and polysaccharides. Acarbose, Voglibose, Miglitol, and Erniglitate have been well-known α-glucosidase inhibitors in science since 1990. However, the long synthetic route and side effects of these inhibitors forced the researchers to move their focus to innovate simple and small heterocyclic scaffolds that work as excellent α-glucosidase inhibitors. Moreover, they are also effective against the postprandial hyperglycemic condition in Type 2 Diabetes Mellitus. In this aspect, this review summarizes recent progress in the discovery and development of heterocyclic molecules that have been appraised to show outstanding inhibition of α-glucosidase to yield positive effects against diabetes.

Chemical composition and antioxidant, enzyme inhibition and cytoprotective activity of two Antarctic lichens of the genus Psoroma (Pannariaceae)

Lichens contain different types of chemical compounds with multiple biological activities that demonstrate their potential pharmacological use. This research aims to report the metabolomic identification of the ethanolic extracts of P. antarcticum and P. hypnorum, their antioxidant, enzyme inhibitory, and their cytoprotection activity. Sixteen metabolites were identified in P. antarcticum and twelve in P. hypnorum; the extracts reported variable antioxidant activity with IC50 >350 µg/mL in DPPH·, values >18 µmol Trolox/g in ORAC and >40 µmol Trolox/g in FRAP and a phenolic compound content >10 mg GAE/g, as well as significant results in cholinesterases, α-glucosidase, pancreatic lipase, α-amylase, and tyrosinase enzyme inhibition activities with IC50 ranging from 18 to 510 µg/mL, and which were complemented by molecular docking experiments. Both extracts showed improved cytoprotection at the concentrations of 0.5 to 1.0 μg/mL. This study contributes to the knowledge of the chemical diversity of Antarctic lichen extracts and their effectiveness in the evaluation of biological activities related to neurodegenerative diseases and metabolic syndrome.

Exploring the phytochemical profile and therapeutic investigations on Moringa concanensis Nimmo pod husk extracts: An integrated in vitro and in silico approach

The present study aimed to determine the chemical profiling, antidiabetic, antioxidant, and antibacterial activity of Moringa concanensis pod husk (MCPH) by in vitro and in silico methods. Phytochemical analysis displayed significant ratios of secondary metabolites in all the extracts MPCH. Major compounds recorded during chemical profiling are 2,5-dimethylfuran-3,4(2H,5H)-dione (19.2%), oleic acid (13.4%) and campesterol (9%), pyranone (5.7%), monomethyl succinate (5.7%), and 1,2-cyclopentanedione (5.4%). In vitro pharmacological studies revealed that methanolic extract of MCPH had a significant effect on α-amylase (IC50 of 78.98 ± 0.58 μg/mL), α-glucosidase (IC50 of 40.80 ± 0.53 μg/mL) enzyme inhibition assays and antioxidant (IC50 of 54.60 ± 0.5 μg/mL for NO) activity. Antibacterial activity was evaluated against various bacterial strains and the ethyl acetate (MIC of 59.30 μg/mL), methanol (MIC of 14.84 μg/mL) and aqueous (MIC of 118.70 μg/mL) extracts of MCPH possessed potent inhibition effect against all the tested bacteria. Molecular docking investigation revealed that α-tocopherol acetate, palmitone, α-tocopherol, oleamide, β-sitosterol, and heptagonal had maximum binding affinity and docking score for all enzyme targets studied. Simulation studies indicate that α-tocopherol acetate could potentially be used as an activator to manage the enzymatic activity of α-amylase. The results showed that Moringa concanensis pod husk extracts are potential biological source of myriad phytoconstituents with pharmacological properties that can be further regulated for the discovery of novel drugs for the mankind.

Fatty Acid Composition, Antioxidant, and Enzyme Inhibition Activities of Cachrys Crassiloba (Boiss.) Meikle Fruit and Leaf Extracts

The genus Cachrys L. (Apiaceae) is distributed in the Mediterranean region and contains 11 species. C. crassiloba (Boiss.) Meikle is a species that grows in Southwest and Western Anatolia. Considering the literature studies, there were not enough studies on C. crassiloba. In this study, fatty acid composition, total phenol/flavonoid contents, antioxidant and acetyl-butrylcholinesterase, tyrosinase, and α-glucosidase enzyme inhibition activities of n-hexane and ethanol extracts prepared from C. crassiloba fruits and leaves were investigated by spectrophotometric methods at different concentrations. When the results were evaluated, it was found that the hexane extract of C. crassiloba leaf (123.92 ± 4.62 GA mg/g extract) had the highest total phenol content, while the ethanol extract of C. crassiloba fruit (134.38 ± 0.98 QE mg/g extract) had the highest flavonoid content. C. crassiloba hexane and ethanol leaf extracts (IC50= 8.04 ± 1.31 µg/mL; 10.30 ± 3.15 µg/mL) showed good antioxidant activity com-pared to the ascorbic acid (IC50= 14.59 ± 1.96 µg/mL) in DPPH assay. C. crassiloba leaf ethanol extract (IC50= 17.38 ± 5.02 µg/mL) has the highest ABTS scavenging activity. C. crassiloba extracts have mod-erate cholinesterase inhibitory activity. C. crassiloba leaf ethanol extract (IC50= 196.65 ± 1.94 µg/mL) has good tyrosinase enzyme inhibition activity. C. crassiloba leaf hexane extract (36.35% ± 1.13) was found to have significant inhibitory activity against α-glucosidase. In conclusion, besides its antioxidant activity, C. crassiloba may be effective against neurodegenerative diseases and skin disorders such as hyperpigmentation and diabetes mellitus, but further phytochemical analysis studies are required.

A comprehensive analysis on nutritional composition, functional properties, antioxidant and enzyme inhibitory potential of selected minor millet grains

Minor millets regarded as storehouse of proteins, dietary fibres, minerals, vitamins, fatty acids and phytochemicals have nutrigenomic role in human health. Determination of such components is an essential approach to choose highly efficient millet grains. Hence, this study has estimated and compared the mineral composition, proximates, functional properties, phytochemical and in vitro pharmacological properties of the seed grains of Setaria italica (Foxtail millet), Echinochloa frumentacea (Barnyard millet), Paspalum scrobiculatum (Kodo millet), and Panicum sumatrense (Little millet) cultivated in Kolli hills of Tamil Nadu, India. Mineral analysis revealed the presence of calcium, copper, magnesium, manganese, iron, phosphorus, potassium, and zinc. Occurrence of high content of protein, carbohydrate and vitamin E were also ascertained. The proximate composition (moisture, ash, crude lipid, and crude fibre) and functional features (water and oil absorbing capacity, bulk density, foaming and emulsifying property) of these millet flours have demonstrated their potential in food product formulation, particularly weaning foods. Total phenolic content was ranged between 53.28±0.71 and 110.42 ± 1.42 mg GAE g−1 of dried extract; and total flavonoid content was in the range of 23.80±1.09 to 65.1 ± 1.23 mg QE g−1 of dried extract in the studied millets. Significant free radical scavenging and enzyme inhibition activity was observed in P. sumatrense (IC50 of 128.92±1.18 µg mL−1 in DPPH assay), E. frumentacea (IC50 of 120.89±1.46 µg mL−1 in ABTS assay and 126.52±0.78 µg mL−1 in tyrosinase inhibition assay), S. italica (IC50 of 119.94±1.40 µg mL−1 in SO radical scavenging assay) and P. scrobiculatum (IC50 of 101.59±1.27 µg mL−1 in α-amylase enzyme inhibition assay and 94.63±0.78 µg mL−1 in α-glucosidase enzyme inhibition assay). The findings highlight the nutraceutical ability of these minor millets which can be employed as a valuable ingredient in food product preparation.

Anti-diabetic potential of Chamaerops humilis L. aerial parts: Phenolic compounds with α-amylase and α-glucosidase inhibitory activates in-vitro, in-vivo and in-silico studies

Five compounds were isolated from the aerial parts of Chamaerops humilis L. and characterized as tricin-7-rutinoside (1), tricin (2), dihydrotricin (3) diasteroisomer of tricin 4′-O(erythro-β-guaiacyl glyceryl) ether (salcolin A)(4a), tricin-4′-O-(threo-β-guaiacyl glyceryl) ether (salcolin B) (4b) and (-)-(5s, 6s)-5,6-dihydro-3,8,10-trihydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-hydroxymethyl-2,4-dimethoxy 7H benzo [e] xanthen-7-one (5). Their structures were elucidated by comparing their spectral data with those reported in the literature. To the best of our knowledge, compounds (3-5) were reported here for the first time from Chamaerops humilis. The methanolic extract of Chamaerops humilis (CHME) and the five isolated compounds were studied for its anti-diabetic effect using in vitro α-glucosidase and α-amylase inhibitory assay that showed a significant activity. The toxicological study indicated that CHME was safe up to 5000 mg/kg bw. Two doses were selected for the in vivo study (800 and 1600 mg/kg bw) and orally administered to high fat diet/streptozotocin-induced diabetic rats for 10 consecutive days. The results revealed that the CHME improved the blood glucose levels in a dose dependent manner, the dose 1600 mg/kg showed the best results dependently along the period of the experiment. CHME and the five isolated compounds were evaluated in silico for their anti-diabetic effect. The anti-inflammatory effect of CHME (1600 mg/kg bw) was proved by significant downregulation of expression for interleukin-6 (IL-6), tumor necrosis factor-α (TNF-α) and matrix metalloproteinase-1 (MMP-1) genes. In conclusion, CHME and its constituents may be a potential hypoglycemic agent working through the anti-inflammatory and enzyme inhibitory pathways. The docking studies demonstrated that compounds Tricin7-rutinoside and Salcolin isomers had promising binding energies of -9.10 kcal/mol and -8.70 kcal/mol, respectively, against α-amylase. These binding energies were superior to that of acarbose, which had a binding energy of -7.60 kcal/mol. In addition, docking analysis provided promising results for the inhibition of α-glucosidase by Tricin7-rutinoside and Dihydrotricin with binding affinity -7.9 kcal/mol and -7.9 kcal/mol, respectively while the binding affinity of acarbose is -6.40 kcal/mol. Overall, the methanolic extract from Chamaerops humilis exhibited good in silico of α-amylase and α-glucosidase enzyme inhibition potential. These findings suggest that these compounds may have potential as anti-diabetic agents, with further research needed to verify their efficacy and safety.