scholarly journals Antioxidant and α-Glucosidase Inhibitory Activities of Fisetin

2018 ◽  
Vol 13 (11) ◽  
pp. 1934578X1801301 ◽  
Author(s):  
Yike Yue ◽  
Yongsheng Chen ◽  
Sheng Geng ◽  
Guizhao Liang ◽  
Benguo Liu
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Medicinal Plants ◽  
Hydrogen Bonds ◽  
Competitive Inhibition ◽  
Radical Scavenging ◽  
Docking Analysis ◽  
Inhibitory Activities ◽  
Molecular Docking Analysis

Fisetin is a flavonoid widespread in vegetables, fruits and medicinal plants. The in vitro antioxidant and α-glucosidase inhibitory activities of fisetin were systemically investigated in this study. The DPPH and ABTS radical scavenging performance of fisetin was higher than that of BHA. In the ORAC and PSC assays, fisetin also exhibited strong antioxidant activity. The α-glucosidase inhibitory activity of fisetin (IC50, 9.38±0.35 μg/mL) was significantly superior to that of acarbose (IC50, 1.07±0.15 mg/mL). Its inhibition type was determined to be a mixed competitive and non-competitive inhibition mode. Molecular docking analysis suggested it could exert the α-glucosidase inhibitory role by forming hydrogen bonds with the TRP391, ASP392, ARG428 and ASP568 residues of α-glucosidase.

scholarly journals In vitro and molecular docking analysis of chalconeimine derivatives with α-glucosidase

2020 ◽  
Vol 16 (11) ◽  
pp. 949-957
Author(s):  
R Asaithambi ◽  
Keyword(s):  
Antioxidant Activity ◽  
Molecular Docking ◽  
Docking Analysis ◽  
Molecular Docking Analysis

It is known that α-glucosidase is linked with the antioxidant activity. Therefore, it is of interest to document the in- vitro and molecular docking analysis of chalconeimine derivatives with α-glucosidase (PDB ID: 2ZEO) for further consideration.

scholarly journals Nauclea latifolia Sm. Leaf Extracts Extenuates Free Radicals, Inflammation, and Diabetes-Linked Enzymes

2020 ◽  
Vol 2020 ◽  
pp. 1-13 ◽  
Author(s):  
Franklyn Nonso Iheagwam ◽  
Emmanuel Nsedu Israel ◽  
Kazeem Oyindamola Kayode ◽  
Opeyemi Christianah DeCampos ◽  
Olubanke Olujoke Ogunlana ◽  
...  
Keyword(s):  
Competitive Inhibition ◽  
Radical Scavenging ◽  
Reducing Power ◽  
Peroxide Radical ◽  
Hypotonic Solution ◽  
Leaf Extracts ◽  
Inhibitory Activities ◽  
Anti Inflammatory ◽  
Nauclea Latifolia

This study was carried out to assess the in vitro antioxidant, anti-inflammatory and antidiabetic effects of Nauclea latifolia (Sm.) leaf extracts. Ethanolic (NLE) and aqueous (NLA) extract of N. latifolia leaves were prepared and assessed for their anti-inflammatory activity, antioxidant potential, α-amylase and α-glucosidase inhibitory activities, and the mechanism of enzyme inhibition in vitro using standard established methods. From the results, phytochemicals such as flavonoids, phenolics, glycosides, and tannins were detected in both extracts of N. latifolia with NLE having a significantly (p<0.05) higher phytochemical content. NLE displayed significantly (p<0.05) better total antioxidant capacity, reducing power, 2,2-diphenyl-2-picrylhydrazyl, and hydrogen peroxide radical scavenging activities. For anti-inflammatory activities, 70.54±2.45% albumin denaturation inhibition was observed for NLE while 68.05±1.03% was recorded for NLA. Likewise, 16.07±1.60 and 14.08±1.76% were obtained against hypotonic solution and heat-induced erythrocyte haemolysis, respectively, for NLE while 20.59±4.60 and 24.07±1.60% were respective NLA values. NLE (IC50: 4.20±0.18 and 1.19±0.11 mg/mL) and NLA (IC50: 11.21±0.35 and 2.64±0.48 mg/mL) α-glucosidase and α-amylase inhibitory activities were dose-dependent with uncompetitive and competitive inhibition elicited, respectively, by the extracts. A significant positive association (p<0.01 and 0.05) was identified between antioxidant activity and carbohydrate-metabolising enzyme inhibitory activity. The obtained result suggests N. latifolia leaf could serve as an alternative candidate for managing diabetes mellitus due to its antioxidant and anti-inflammatory association with diabetes-linked enzymes.

scholarly journals Molecular Structure-Affinity Relationship of Bufadienolides and Human Serum Albumin In Vitro and Molecular Docking Analysis

PLoS ONE ◽  
2015 ◽  
Vol 10 (5) ◽  
pp. e0126669 ◽  
Author(s):  
Jing Zhou ◽  
Guodi Lu ◽  
Honglan Wang ◽  
Junfeng Zhang ◽  
Jinao Duan ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Molecular Docking ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Docking Analysis ◽  
Relationship Of ◽  
Molecular Docking Analysis

scholarly journals Antioxidant potential of some Sudanese medicinal plants used in traditional medicine

2015 ◽  
Vol 3 (2) ◽  
pp. 192 ◽  
Author(s):  
Hatil EL-Kamali ◽  
Sana E. M. Hamed
Keyword(s):  
Antioxidant Activity ◽  
Medicinal Plants ◽  
Antioxidant Activities ◽  
Radical Scavenging ◽  
Punica Granatum ◽  
In Vitro Models ◽  
Water Extracts ◽  
Total Antioxidant ◽  
Sudanese Medicinal Plants

<p>In the present work methanolic and water extracts of 19 medicinal plants, commonly used in Sudanese folk medicines against gastrointestinal tract, infectious diseases were investigated for their antioxidant activity. Antioxidant assays were carried out by using different in vitro models such as DPPH (2, 2-diphenyl-1picrylhydrazyl) radical scavenging and Iron chelating activity. Methanolic and water extracts of <em>Punica granatum </em>showed the highest total antioxidant activity of 71±0.03 and 73±0.01 respectively. The antioxidant activities of water extracts were poor when compared to the methanol extract. The iron chelating power of methanol and aqueous extracts of <em>Commiphora myrrha</em> 58±0.01 and <em>Azadirachta indica</em> 57±0.20 respectively.</p>

scholarly journals Identification of Potential Dipeptidyl Peptidase (DPP)-IV Inhibitors among Moringa oleifera Phytochemicals by Virtual Screening, Molecular Docking Analysis, ADME/T-Based Prediction, and In Vitro Analyses

Molecules ◽  
2020 ◽  
Vol 25 (1) ◽  
pp. 189 ◽  
Author(s):  
Yang Yang ◽  
Chong-Yin Shi ◽  
Jing Xie ◽  
Jia-He Dai ◽  
Shui-Lian He ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Moringa Oleifera ◽  
Molecular Mechanisms ◽  
Dipeptidyl Peptidase ◽  
In Vivo Evaluation ◽  
Docking Analysis ◽  
Dpp Iv ◽  
Molecular Docking Analysis

Moringa oleifera Lam. (MO) is called the “Miracle Tree” because of its extensive pharmacological activity. In addition to being an important food, it has also been used for a long time in traditional medicine in Asia for the treatment of chronic diseases such as diabetes and obesity. In this study, by constructing a library of MO phytochemical structures and using Discovery Studio software, compounds were subjected to virtual screening and molecular docking experiments related to their inhibition of dipeptidyl peptidase (DPP-IV), an important target for the treatment of type 2 diabetes. After the four-step screening process, involving screening for drug-like compounds, predicting the absorption, distribution, metabolism, excretion, and toxicity (ADME/T) of pharmacokinetic properties, LibDock heatmap matching analysis, and CDOCKER molecular docking analysis, three MO components that were candidate DPP-IV inhibitors were identified and their docking modes were analyzed. In vitro activity verification showed that all three MO components had certain DPP-IV inhibitory activities, of which O-Ethyl-4-[(α-l-rhamnosyloxy)-benzyl] carbamate (compound 1) had the highest activity (half-maximal inhibitory concentration [IC50] = 798 nM). This study provides a reference for exploring the molecular mechanisms underlying the anti-diabetic activity of MO. The obtained DPP-IV inhibitors could be used for structural optimization and in-depth in vivo evaluation.

Development of diarylpentadienone analogues as alpha-glucosidase inhibitor: Synthesis, in vitro biological and in vivo toxicity evaluations, and molecular docking analysis

2020 ◽  
Vol 104 ◽  
pp. 104277
Author(s):  
Maryam Aisyah Abdullah ◽  
Yu-Ri Lee ◽  
Siti Nurulhuda Mastuki ◽  
Sze Wei Leong ◽  
Wan Norhamidah Wan Ibrahim ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Analysis ◽  
In Vivo Toxicity ◽  
Glucosidase Inhibitor ◽  
Alpha Glucosidase ◽  
Molecular Docking Analysis
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