{TiCl3}2(C3N3S3H) (where C3N3S3H is Trithiocyanuric acid) was designed and synthesized by the reaction of TiCl4 and trithiocyanuric acid in 2:1 M ratio under stirring and refluxing condition using ...THF solvent. The synthesized Titanium (IV) complex was characterized by various spectroscopic techniques like FT‐IR, NMR, MASS, XRD, UV–visible spectrophotometer and elemental analysis (CHNSO). Moreover, in‐silico docking studies of the ligand and its Ti (IV) complex were carried out by AutoDockTools‐1.5.6 to study interactions of the complex under study with the receptor protein. Afterwards, both ligand and synthesized Ti (IV)complex were screened for the antioxidant and antidiabetic potential by in‐vitro method. The antioxidant potential was investigated by using DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) radical scavenging assay where ligand exhibited moderate activity while Ti (IV) complex presented significant antioxidant activity. Following, alpha‐amylase enzyme inhibition was investigated using iodine‐starch inhibition assay. It was found that the ligand was inactive (showed no α‐amylase inhibition activity) while the Ti (IV)complex was a potent α‐amylase inhibitor. Furthermore, the experimentally obtained results were also complimented by the in‐silico results.
{TiCl3}2(C3N3S3H) was designed and synthesized to study its Antidiabetic and antioxidant studies with the help of DPPH radical scavenging assay and alpha‐amylase inhibition assay through both in‐vitro and in‐silico approaches.
•Muffin was fortified with brewers spent grain protein hydrolysates (BPH).•Adding up to 6 % BPH to muffin formulations improved antidiabetic properties.•Increased BPH levels resulted in muffins ...becoming darker and softer.•Muffins containing 2% BPH exhibited sensory properties similar to control.
This study assessed the fortification of muffins with 2, 4, and 6 % of brewer's spent grain protein hydrolysates to enhance their in vitro antioxidant, α-glucosidase, and α-amylase inhibitory activities. In addition, oxidative stability, hardness, color and sensory properties of fortified muffins were investigated. The fortification of muffin formulations with 6 % hydrolysates increased antioxidant activity six times higher than that of the control sample. As the hydrolysate increased to 6 %, the α-amylase and α-glucosidase inhibition also increased to 88 and 40 %, respectively. The 6 % fortified muffins exhibited lower peroxide and thiobarbituric acid values during a 14 day storage than the control muffins, while higher hydrolysate levels darkened the color and softened the texture. Sensory evaluation indicated that muffins with 2% hydrolysates achieved similar overall acceptance as the control. It can be concluded that brewer's spent grain hydrolysate is suitable for functional bakery products.
•Synthesis of series of chalcone derivatives-based novel oxovanadium(V) complexesandtheir characterization using various spectroscopic techniques.•Density Functional Theory (DFT) studies to ...investigate the structural and energetic aspects and biological potential of synthesized oxovanadium(V) complexes.•In-vitroandin-silicoscreening of potent selective alpha-glucosidase and alpha-amylase inhibitors.•Kinetic studies have been carried out to investigate the type of mechanism adopted by the best inhibitor to inhibit the enzymes.•Analysis of Antioxidant Potential of complexes by employing DPPH assay.
A series of four novel oxovanadium(V)chalcone complexes (VO(LI-IV)2Cl; where HLI=1-(2-Hydroxy-phenyl)-3-phenyl-propenone, HLII=1-(1-Hydroxy-naphthalen-2-yl)-3-phenyl-propenone, HLIII = 1-(2-Amino-phenyl)-3-phenyl-propenone, HLIV = 4-Hydroxy-6-methyl-3-(3-phenyl-acryloyl)-pyran-2-one) were designed and synthesized by performing chemical reaction between VOCl3 and respective chalcone derivatives in 1:2 molar ratio. Their formation as well as chemical structures were confirmed by FTIR, UV-Visible, 1H-NMR, SEM, EDS, and mass spectrometry spectroscopic techniques. The geometry of the synthesized complexes was purposed to be octahedral on the basis of the characterization. Further computational and structural parameters of the synthesized complexes were determined in order to establish their thermodynamic stability/chemical reactivity of the synthesized complexes. Density Functional Theory (DFT) method was employed to calculate the molecular geometry and vibrational frequencies of the synthesized complexes using B3LYP hybrid functional at 6-31G* level of basis set. Further, Spartan'20 V1.0.0 program package was used to calculate the 1H-NMR spectra with (DFT/ B3LYP) in the gaseous phase to validate the structure of oxovanadium(V) complexes. The experimentally obtained results were found to be well correlated with theoretical results with a correlation value > 0.96. Global reactivity descriptors helps to explain the bioactivity of complexes hence, were calculated from the HOMO-LUMO energies. The enzymatic assay experiments indicated that all the four synthesized complexes have significant to moderate inhibition potential against α-glucosidase, and α-amylase enzymes. Among all the oxovanadium(V)chalcone complexes, complex 4showed excellent and superior inhibition potency almost equivalent to the commercially available Acarbose drug and even better in case of α-amylase. The observed IC50 value of complex 4 for the inhibition of α-amylase and α-glucosidase was calculated to be 16.36 µg/mL and 57.27 µg/mL, respectively. The Kinetic parameters calculated from the Lineweaver-Burk plot showed that complex 4 were uncompetitive and mixed inhibitor of α-amylase and α-glucosidase respectively. Thereafter,the antiradical activity of synthesized vanadium(V)chalcone complexes was assessed with the help of DPPH radical scavenging assay. The results demonstrated that all the complexes were remarkable free radical scavengers for the DPPH. The complex 1 was observed to be best among them with the 0.03 µg/mL IC50 value. The AutoDockTools-1.5.6 software was used to examine structure-activity relationship and the binding interactions between oxovanadium(V) complexes and protein target alpha-amylase, alpha-glucosidase, and Myeloperoxidase respectively. The in-vitro as well as in-silico biological activity studies showed significant and major improvements after complexation of chalcone derivatives with vanadium oxychloride (VOCl3). Thus, oxovanadium(V)chalcone complexes were found to be potent inhibitors of the α-glucosidase and α-amylase enzyme.
•V(V) and Fe(III) complexes are synthesized by one-pot reaction with H2PDA and BIA.•Both are proton transfer complexes with COO-NH+ ion-pair interaction.•V(V) complex exist as a dimer with V-O-V ...bridging bond.•Optical band gap energy values indicate the semiconducting nature of compounds.•V(V) complex show good anti-diabetic property and Fe(III) complex shows good dielectric property.
A proton transfer salt, (HBIA+)(HPDA−)·H2O (L), and its vanadium (HBIA)VO2(PDA) (C1) and iron complexes, (HBIA)Fe(PDA)2·2H2O (C2) H2PDA = pyridine-2,6-dicarboxylic acid; BIA = 1H-benzimidazole-2-amine have been synthesized and characterized by elemental analysis, FT-IR, UV–Visible, 1H and 13C NMR and single crystal X-ray diffraction (SC-XRD) studies. According to SC-XRD, compound L and C2 crystalizes in Monoclinic (P21/c) and C1 in Triclinic (P-1) crystal system and exist as multi-component proton transfer systems stabilized by COO−NH+ ion pair interactions. Thermal, biological and material aspects of compounds were explored by TG-DTA study, antimicrobial, antidiabetic and dielectric study. Antibacterial activity was evaluated against the microorganisms, Escherichia coli (ATCC 25,922), Staphylococcus aureus (ATCC 25,923), Pseudomonas aeroginosa (ATCC 2783), Streptococcus mutans (MTCC 890) and Klebsiella pneumonia (ATCC 13,883). Antifungal activity was evaluated against Aspergillus niger (ATCC16404) and Candida albicans (ATCC 10,231). Band gap energy values with UV–Visible spectra reveal the semiconducting nature of compounds. The vanadium complex shows significant antidiabetic activity (IC50value = 315 µg/mL) compared with the standard reference. Presence of easily polarizable water molecule is responsible for the high dielectric constant value (ԑ = 41.96 at 1 Hz) and ac conductivity (σac) for the iron complex C2.
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In Pakistan, chickpeas (
L.) are the largest grown legume crops, especially in desert areas. Along with an excellent source of nutrition, chickpea seeds have discernible medicinal and antioxidant ...characteristics. The diverse set of 90 chickpea genotypes (66 desi and 24 kabuli) were collected from different research zones in Pakistan, and seed flour was used for biochemical profiling. Genotypes were significantly different (Tukey HSD test,
< 0.05) for the traits under investigation. In non-enzymatic antioxidants, highest seed total phenolic contents (TPC) (34725 ± 275 μM/g s. wt.) was found in CM-98 (desi), ascorbic acid (AsA) (69.23 ± 2.25 μg/g s. wt.) in WH-3 (desi), and total flavonoid content (TFC) (394.98 ± 13.06 μg/mL sample) was detected in WH-11 (desi). In the class of enzymatic antioxidants, the highest seed ascorbate peroxidase (APX) (1680 ± 40 Units/g s. wt.) was detected in Tamman-2013 (kabuli), peroxidases (POD) (2564.10 ± 233.10 Units/g s. wt.) activity in CM1235/08 (desi), and superoxide dismutase (SOD) (279.76 ± 50 Units/g s. wt.) was detected in CH24/11 (desi). Highest seed catalase activity (CAT) (893 ± 50 Units/g s. wt.) and proline content (272.50 ± 20.82 μg/g s. wt.) was detected in an ICC-4951 (desi). In hydrolytic enzymes, the highest activity of esterase (37.05 μM/min/g s. wt) was found in, CH56/09(Kabuli), protease (11080 ± 10 Units/g s. wt.) in Karak-2 (desi), and α-amylase (213.02 ± 3.20 mg/g s. wt.) was observed in CH74/08 (kabuli). In other biochemical parameters, the highest seed total oxidant status (TOS) (356 ± 17.50 μM/g s. wt.) was detected in CM3457/91 (desi); malondialdehyde (MDA) content (295.74 ± 3.097 uM/g s. wt.) was observed in CM-2008 (kabuli), and total antioxidant capacity (TAC) (8.36 ± 0.082 μM/g s. wt.) was found in CM-72 (desi). In case of pigment analysis, Sheenghar-2000 (desi) depicted highest lycopene (12.579 ± 0.313 μg/g s. wt.) and total carotenoids (58.430.23 ± 0.569 μg/g s. wt.) contents. For seed therapeutic potential, the highest seed α-amylase inhibition (82.33 ± 8.06%) was observed in CM-88 (desi), while WH-1, WH-6, and ICCV-96030 (desi) depicted the highest value for seed anti-inflammatory potential (78.88 ± 0.55%). Genotypes with the highest antioxidant and therapeutic potential can be utilized as a natural antioxidant source and in breeding programs aimed at improving these traits in new breeding lines.
•Synthesis of two novel bi-thiacoumarins derivatives were achieved via lawesson reagent.•In-silico Docking studies was performed to instigate the binding affinity against the target ...molecule.•In-vitro anticoagulant activity of the synthesized compounds exhibited moderate anticoagulant activity with IC50 values of 356.59±2.09 µΜ and 316.34±3.92 µΜ against the reference warfarin and heparin.•The synthesized molecules showed promising activity with their MICs values towards B. Subtilis strain and Tc02 also exhibited good result against S. Aureus bacteria.•Synthesized compounds were inactive towards HeLa cell line and BJ cell line while their cytotoxicity is less than 50%.•The DPPH assay showed the moderate to excellent %age inhibition with IC50 values of 265.072, 582.839 for novel bi-thiacoumarins derivatives against reference compound.•In-vitro ᾳ-amylase inhibition activity exhibited very promising %age inhibition results with IC50 values of 401.694, 287.368 for synthesized compounds as compared to standard.•In-silico docking studies performed to instigate the enzyme inhibition activity with macromolecule tyrosinase while synthesized compounds showed very promising interaction with binding affinity value -6.5, -6.4 kJ/mol against the target -4.0 kJ/mol.
In the present study, two new bi-thiacoumarin derivatives viz. 3-(7-hydroxy-2-oxo-2H-chromen-3-yl)-2-thioxo-2H-thiochromen-7-yl) (4-methoxyphenyl) phosphinothioate (Tc01) and 4-hydroxy-4′-mercapto-2′-thioxo-2H,2'H-3,3′-bichromen-2-one (Tc02) have been synthesized via lawesson reagent through concerted cycloaddition and cycloreversion reaction. Compounds were characterized by M.P, UV, FTIR, 1H NMR, 13C NMR, and EIMS. The synthesized compounds were evaluated by in-Vitro anticoagulant, antibacterial, anticancer and cytotoxicity assays. In-Silico docking studies were performed to instigate the binding affinity towards target that showed moderate interaction through hydrogen bonding, hydrophobic and pi-pi interaction. Compounds Tc01, Tc02 exhibited promising activity towards antibacterial and anticoagulant assays. The moderate activity was showed by Tc01 towards MTT assay (Hela cell line and BJ cell line) while Tc02 remained inactive. The antioxidant activity was also performed by DPPH assay with very significant %age inhibition IC50 values. Similarly, the alpha-amylase inhibition assay (antidiabetic activity) also exhibited significant activity indicating remedial potential.
ABSTRACT Diabetes mellitus (DM) is a metabolic disorder that is marked by high blood glucose levels. Members of the Rosaceae family are a good source of antioxidants. Therefore, the current work ...sought to examine the potential for in-vitro alpha-amylase and alpha-glucosidase inhibition and the antidiabetic activity of Rosa brunonii L. fruit chloroform extract (RBFCE) against Alloxan (ALXN) induced diabetes in rats. RBFCE concentrations ranging from 20, 50, 100, 250, 500, and 750 g/mL were used in in-vitro activities, while oral doses of 500 mg/kg, 750 mg/kg, and 1000 mg/kg were given to rats in an in-vivo trial for 21 days. Isolation was carried out through column chromatography and modern spectroscopic techniques were used for characterization and structure elucidation. The isolated compound was identified as catechin. For alpha-amylase and alpha-glucosidase inhibition activity, RBFCE had IC50 values of 322.06±17.40 and 248.93±1.62, respectively. The IC50 values for acarbose against alpha-amylase and alpha-glucosidase inhibition were 64.64±3.70 and 67.60±4.20, respectively. RBFCE treatment regulated blood glucose levels dose-dependently over a 21-day study period. Histopathological studies revealed that RBFCE has recovered the damaged acinar structures to some extent in pancreatic tissue. Only focal tissue destruction observed. RBFCE treatment displayed normal glomeruli with no signs of inflammation, proliferation, necrosis, cipher of thyroidization and fibrosis. All the extract-treated groups had more protected pancreatic and kidney tissue than control group in dose-dependent manner. The current study results revealed that RBFCE had prominent alpha-amylase and alpha-glucosidase inhibition activity, regulates blood glucose level and normalize histopathological markers in diabetic rats compared to the negative control group.
Purpose: To investigate the cytotoxic and alpha-amylase inhibitory (AAI) potential of methanol (MeOH) extract of T. minuta and its isolated metabolites.
Methods: Phytochemical investigation of MeOH ...extract of the aerial parts of T. minuta was accomplished using SiO2 and Rp-18 column chromatography (CC). The structures of the isolated metabolites were determined and verified based on various data, in addition to comparison with literature data. The metabolites were assessed for cytotoxic potential against HepG2, MCF-7, and HCT116 cell lines utilizing sulphur rhodamine B (SRB) assay. The in vitro AAI potential of the metabolites were also assayed, and the findings were confirmed using results from molecular docking studies.
Results: One thiophene (compound 1), one coumarin (compound 2), and three phenolic compounds (compounds 3-5) were isolated and characterized. Compound 1 exhibited a marked cytotoxic effect (IC50 values: 2.7 – 7.3 μM) on HepG2, MCF-7, and HCT116 cell lines, relative to doxorubicin (IC50 values: 0.18 - 0.60 μM), whereas compound 2 had a moderate cytotoxic effect on MCF-7 (IC50 17.7 μM). Besides, compounds 4 and 5 produced potent AAI effects, with IC50 values of 12.3 and 9.2 μM, respectively, and 91.8 and 94.7 % inhibition, respectively), when compared to acarbose (94.7 % inhibition and IC50 of 7.1 μM). Interestingly, the in vitro AAI and in silico results were in agreement with each other. Compounds 5 and 4 had more negative docking scores (-13.655 and -12.135 kcal/mol, respectively) than the native inhibitors, myricetin (-12.155 kcal/mol) and acarbose (-15.105 kcal/mol).
Conclusion: These results suggest that T. minuta is a valuable source of anti-diabetic and cytotoxic metabolites. However, there is a need to validate these results through additional in vivo and in vitro investigations.
A series consisting of 1–25 5-indole hydrazone have been synthesized and evaluated for their alpha amylase inhibition.
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•Synthesis of indole derivatives.•In vitro alpha amylase ...activity.•Identification of a new class of alpha amylase inhibitor.•Structure Activity Relationship established.•Molecular docking.
Twenty five derivatives of indole carbohydrazide (1–25) had been synthesized. These compounds were characterized using 1H NMR and EI-MS, and further evaluated for their α-amylase inhibitory potential. The analogs (1–25) showed varying degree of α-amylase inhibitory potential.
ranging between 9.28 and 599.0µM when compared with standard acarbose having IC50 value 8.78±0.16µM. Six analogs, 25 (IC50=9.28±0.153µM), 22 (IC50=9.79±0.43µM), 4 (IC50=11.08±0.357µM), 1 (IC50=12.65±0.169µM), 8 (IC50=21.37±0.07µM) and 14 (IC50=43.21±0.14µM) showed potent α-amylase inhibition as compared to the standard acarbose (IC50=8.78±0.16µM). All other analogs displayed good to moderate inhibitory potential. Structure-activity relationship was established through the interaction of the active compounds with enzyme active site with the help of docking studies.
Objective: To explore the probable in vitro, in situ and in vivo mechanisms of gallic acid (GA) and p-coumaric acid (PCA) as anti-hyperglycemic agents.
Animals and methods: Male albino rats were ...allocated into four groups, group1 was used as normal control. Group 2 was established as a diabetic control and group3 and 4 were treated with an oral dose of GA and PCA, respectively.
Results: GA and PCA revealed a significant decrease in the activity of α-amylase, a noticeable rise in glucose induced-insulin secretion and glucose-uptake in peripheral glucose-uptake in vitro, increase also liver glycogen and serum insulin levels in vivo. Further, GA and PCA exhibited a significant reduction in intestinal glucose absorption in situ compared to blank.
Conclusion: The antihyperglycemic activities of GA and PCA can be mediated through delaying intestinal glucose absorption, enhancing β-cell activity and promoting glucose uptake by peripheral tissue via enhancing insulin sensitivity.
Celotno besedilo
Dostopno za:
DOBA, IJS, IZUM, KILJ, NUK, PILJ, PNG, SAZU, SIK, UILJ, UKNU, UL, UM, UPUK
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