scholarly journals Inhibitory Effects of Myricetrin and Dihydromyricetin toward α-Glucosidase and Pancreatic Lipase with Molecular Docking Analyses and Their Interaction

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Siyuan Mi ◽  
Jia Liu ◽  
Xiaojing Liu ◽  
Yishan Fu ◽  
Junjie Yi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Phenolic Compounds ◽  
Hydrogen Bonds ◽  
Pancreatic Lipase ◽  
Hydrophobic Interactions ◽  
Synergistic Effects ◽  
Dependent Manner ◽  
Inhibitory Effects ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition

The aim of the current study was to evaluate the interaction effects of myricetrin and dihydromyricetin in inhibiting α-glucosidase and pancreatic lipase at different combination ratios and concentrations and to illuminate the underlying mechanisms of their inhibitions by molecular docking analyses. Results showed that both phenolic compounds possessed good inhibitory effects toward two enzymes in a dose-dependent manner. Myricetrin demonstrated a stronger inhibition against α-glucosidase (IC50, 41.14 ± 2.52 and more than 200 μg/mL, respectively), while dihydromyricetin had a better pancreatic lipase inhibition (IC50, 244.96 ± 4.24 and 373.26 ± 21.36 μg/mL, respectively). Different interaction types were observed when myricetrin and dihydromyricetin inhibited α-glucosidase and pancreatic lipase in combination, which were closely related to the combination ratio and concentration. For α-glucosidase inhibition, synergistic effects were observed at relative low concentrations when the combination ratio of myricetrin to dihydromyricetin was set as 1 : 2, while strong synergistic effects existed at relative high concentrations for pancreatic lipase inhibition. In other combination ratios (1 : 1 or 2 : 1), additive and/or antagonistic effects occurred. Molecular docking analyses showed that myricetrin formed nine hydrogen bonds with α-glucosidase, while only three hydrogen bonds were formed between dihydromyricetin and α-glucosidase. However, these two phenolic compounds had similar hydrogen bonds and hydrophobic interactions with pancreatic lipase. The present study suggested that myricetrin and dihydromyricetin or food materials rich in these two phenolic compounds could be exploited as α-glucosidase and/or pancreatic lipase inhibitors to deal with health problems caused by excessive energy intake, and the combination ratio and concentration of these two phenolic compounds should be considered when producing new functional foods.

scholarly journals In Vitro Pancreatic Lipase Inhibition by Marine Fungi Purpureocillium lilacinum Associated with Stylissa sp. Sponge as Anti-obesity Agent

2021 ◽  
Vol 29 (1) ◽  
pp. 76-86
Author(s):  
Wendi Nurul Fadillah ◽  
Nampiah Sukarno ◽  
Dyah Iswantini ◽  
Min Rahminiwati ◽  
Novriyandi Hanif ◽  
...  
Keyword(s):  
Ethyl Acetate ◽  
Pancreatic Lipase ◽  
Metabolite Identification ◽  
Molecular Characteristics ◽  
Dependent Manner ◽  
Concentration Dependent Manner ◽  
Purpureocillium Lilacinum ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition

This study aimed to evaluate the potential of marine fungus Purpureocillium lilacinum isolated from an Indonesian marine sponge Stylissa sp. as an anti-obesity agent through pancreatic lipase inhibition assay. The fungus was identified as P. lilacinum through morphological and molecular characteristics. The fungal extract’s inhibition activity and kinetics were evaluated using spectrophotometry and Lineweaver-Burk plots. Ethyl acetate and butanol were used for extraction. Both extracts showed pancreatic lipase inhibition in a concentration-dependent manner. Both crude extracts were then fractionated once. All fractionated extracts showed inhibitory activity above 50%, with the highest activity found in fraction 5 of ethyl acetate at 93.41% inhibition. The best fractionated extract had an IC50value of 220.60 µg.mL-1. The most active fraction of P. lilacinum had a competitive-type inhibitor behavior as shown by the value of Vmax not significantly changing from 388.80 to 382.62 mM pNP.min-1, and the Michaelis-Menten constant (KM) increased from 2.02 to 5.47 mM in the presence of 500 µg.mL-1 fractionated extract. Metabolite identification with LC-MS/MS QTOF suggested that galangin, kaempferol, and quercetin were responsible for the observed lipase inhibition.

scholarly journals Digestive Enzyme Inhibition of Different Phenolic Fractions and Main Phenolic Compounds of Ultra-High-Pressure-Treated Palm Fruits: Interaction and Molecular Docking Analyses

2020 ◽  
Vol 2020 ◽  
pp. 1-10 ◽  
Author(s):  
Qingfeng Zhou ◽  
Jiexin Zhou ◽  
Xiaojing Liu ◽  
Yan-Bing Zhang ◽  
Shengbao Cai
Keyword(s):  
High Pressure ◽  
Molecular Docking ◽  
Phenolic Compounds ◽  
Caffeic Acid ◽  
Pancreatic Lipase ◽  
Metabolic Diseases ◽  
Digestive Enzyme ◽  
Inhibitory Effects ◽  
Ultra High Pressure ◽  
Palm Fruits

The purpose of the present work was to evaluate the inhibitory effects of different phenolic extracts from non- and ultra-high-pressure- (UHP-) treated palm fruits and their main phenolic compounds against pancreatic lipase and α-glucosidase and to further analyze the interaction and inhibitory mechanisms of two main phenolics (caffeic acid and catechin). Results showed that the free, esterified, and insoluble-bound phenolic fractions from the non- and UHP-treated fruits demonstrated good inhibitory effects towards two enzymes. The insoluble-bound phenolic fraction, regardless of UHP treatment, presented the strongest inhibitory capacities, and UHP treatment significantly upgraded the inhibitory effects of these phenolic fractions (lipase IC50 : 78.01 vs. 72.50 μg/mL; α-glucosidase IC50 : 76.42 vs. 64.51 μg/mL). Catechin and caffeic acid, main phenolic compounds detected in all phenolic fractions of the fruits, showed similar efficiencies on inhibiting the two enzymes, which were consistent with the findings observed by molecular docking analysis. Moreover, these two phenolic compounds exhibited a synergy effect on inhibiting pancreatic lipase and α-glucosidase at a relatively high combination concentration with the ratio of 1 : 1. Therefore, the present work may be helpful for further application of palm fruits as food supplements or nutraceuticals to control energy intake to improving some chronic metabolic diseases.

scholarly journals HPLC-ESI-qTOF-MS/MS Characterization, Antioxidant Activities and Inhibitory Ability of Digestive Enzymes with Molecular Docking Analysis of Various Parts of Raspberry (Rubus ideaus L.)

Antioxidants ◽  
2019 ◽  
Vol 8 (8) ◽  
pp. 274 ◽  
Author(s):  
Lingfeng Wu ◽  
Yufeng Liu ◽  
Yin Qin ◽  
Lu Wang ◽  
Zhenqiang Wu
Keyword(s):  
Molecular Docking ◽  
Phenolic Compounds ◽  
Digestive Enzymes ◽  
Antioxidant Activities ◽  
Rubus Idaeus ◽  
Total Phenolic ◽  
Dependent Manner ◽  
Inhibitory Effects ◽  
Docking Analysis ◽  
Molecular Docking Analysis

The anti-oxidative phenolic compounds in plant extracts possess multiple pharmacological functions. However, the phenolic characterization and in vitro bio-activities in various parts of raspberry (Rubus idaeus L.) have not been investigated systematically. In the present study, the phenolic profiles of leaves (LE), fruit pulp (FPE), and seed extracts (SE) in raspberry were analyzed by HR-HPLC-ESI-qTOF-MS/MS method, and their antioxidant activities and digestive enzymes inhibitory abilities were also investigated. The molecular docking analysis was used to delineate their inhibition mechanisms toward type II diabetes related digestive enzymes. Regardless of LE, FPE, or SE, 50% methanol was the best solvent for extracting high contents of phenolic compounds, followed by 50% ethanol and 100% methanol. The LE of raspberry displayed the highest total phenolic content (TPC) and total flavonoid content (TFC). A total of nineteen phenolic compounds were identified. The quantitative results showed that gallic acid, ellagic acid, and procyanidin C3 were the major constituents in the three extracts. The various parts extracts of raspberry all exhibited the strong antioxidant activities, especially for LE. Moreover, the powerful inhibitory effects of the three extracts against digestive enzymes (α-glucosidase and α-amylase) were observed. The major phenolic compounds of the three extracts also showed good inhibitory activities of digestive enzyme in a dose-dependent manner. The underlying inhibitory mechanisms of the main phenolic compounds against digestive enzymes were clarified by molecular docking analysis. The present study demonstrated that the various parts of raspberry had strong antioxidant activities and inhibitory effects on digestive enzymes, and can potentially prevent oxidative damage or diabetes-related problems.

scholarly journals Biological activity of alginate and its effect on pancreatic lipase inhibition as a potential treatment for obesity

2015 ◽  
Vol 49 ◽  
pp. 18-24 ◽  
Author(s):  
David Houghton ◽  
Matthew D. Wilcox ◽  
Peter I. Chater ◽  
Iain A. Brownlee ◽  
Chris J. Seal ◽  
...  
Keyword(s):  
Biological Activity ◽  
Pancreatic Lipase ◽  
Potential Treatment ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition

Pharmacophore Mapping of Natural Products for Pancreatic Lipase Inhibition

2020 ◽  
pp. 305-338 ◽  
Author(s):  
Matheus Gabriel de Oliveira ◽  
Waléria Ramos Nogueira de Souza ◽  
Ricardo Pereira Rodrigues ◽  
Daniel F. Kawano ◽  
Leonardo Luiz Borges ◽  
...  
Keyword(s):  
Natural Products ◽  
Pancreatic Lipase ◽  
Pharmacophore Mapping ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition

scholarly journals Kinetic Behaviour of Pancreatic Lipase Inhibition by Ultrasonicated A. malaccensis and A. subintegra Leaves of Different Particle Sizes

2020 ◽  
Vol 15 (3) ◽  
pp. 818-828
Author(s):  
Miradatul Najwa Muhd Rodhi ◽  
Fazlena Hamzah ◽  
Ku Halim Ku Hamid
Keyword(s):  
Particle Size ◽  
Gallic Acid ◽  
Pancreatic Lipase ◽  
Crude Extract ◽  
Competitive Inhibition ◽  
Treatment Method ◽  
Crude Extracts ◽  
Pre Treatment ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition

Gallic acid and quercetin equivalent were determined in the crude extract of matured leaves Aquilaria malaccensis and Aquilaria subintegra. The leaves of both Aquilaria species were dried at 60 °C for 24 hours, ground and sieved into particle size of 250, 300, 400, 500, and 1000 µm. Then, each particle size of leaves was soaked in distilled water with a ratio of 1:100 (w/v) for 24 hours and undergoes the pre-treatment method by using ultrasonicator (37 kHz), at the temperature of 60 °C for 30 minutes. The crude extracts were obtained after about 4 hours of hydrodistillation process. The highest concentration of gallic acid and quercetin equivalent was determined in the crude extract from the particle size of 250 µm. The kinetics of pancreatic lipase inhibition was further studied based using the Lineweaver-Burk plot, wherein the concentration of p-NPP as the substrate and pancreatic lipase were varied. Based on the formation of the lines in the plot, the crude leaves extract of both Aquilaria species exhibit the mixed-inhibition on pancreatic lipase, which indicates that in the reaction, the inhibitors were not only attached to the free pancreatic lipase, but also to the pancreatic lipase-(p-NPP) complex. The reaction mechanism was similar to non-competitive inhibition; however the value of dissociation constant, Ki, for both inhibition pathways was different. The inhibition shows an increment in Michaelis-Menten constant (Km) and a reduction in the maximum pancreatic lipase activity (Vm) compared to the reaction without Aquilaria spp. crude extracts (control). This proved that the inhibition occurred in this reaction. Copyright © 2020 BCREC Group. All rights reserved 

Pancreatic lipase inhibition of strictinin isolated from Pu’er tea (Cammelia sinensis) and its anti-obesity effects in C57BL6 mice

2018 ◽  
Vol 48 ◽  
pp. 1-8 ◽  
Author(s):  
Tzu-Yin Chen ◽  
Miki M.C. Wang ◽  
Sheng-Kuo Hsieh ◽  
Meng-Huang Hsieh ◽  
Wen-Ying Chen ◽  
...  
Keyword(s):  
Pancreatic Lipase ◽  
Pancreatic Lipase Inhibition ◽  
Lipase Inhibition
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