A Study on the Inhibitory Potential of Dpp-Iv Enzyme by Lobeline through In silico and In vivo Approaches

Sabbagh, Ghalia; Kurdi, Boushra; Khayata, Warid; Lahdo, Raghda

doi:10.9734/irjpac/2021/v22i130376

Cited by 4 publications

(5 citation statements)

References 36 publications

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“…The ingestion of monosaccharides, long-chain fatty acids, proteins and certain amino acids stimulates GLP-1 secretion [ 8 ]. These two hormones stimulate insulin secretion by pancreatic beta cells [ 9 ]. In this context, DPP-IV inhibitors promote insulin secretion in a glucose-dependent manner by extending the half-life of the incretins [ 10 , 11 ].…”

Section: Introductionmentioning

confidence: 99%

In Vivo and In Vitro Comparison of the DPP-IV Inhibitory Potential of Food Proteins from Different Origins after Gastrointestinal Digestion

Fleury

Deracinois

Dugardin

et al. 2022

IJMS

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Dipeptidyl-peptidase IV (DPP-IV) plays an essential role in glucose metabolism by inactivating incretins. In this context, food-protein-derived DPP-IV inhibitors are promising glycemic regulators which may act by preventing the onset of type 2 diabetes in personalized nutrition. In this study, the DPP-IV-inhibitory potential of seven proteins from diverse origins was compared for the first time in vitro and in vivo in rat plasma after the intestinal barrier (IB) passage of the indigested proteins. The DPP-IV-inhibitory potentials of bovine hemoglobin, caseins, chicken ovalbumin, fish gelatin, and pea proteins were determined in rat plasma thirty minutes after oral administration. In parallel, these proteins, together with bovine whey and gluten proteins, were digested using the harmonized INFOGEST protocol adapted for proteins. The DPP-IV half-maximal inhibitory concentration (IC50) was determined in situ using Caco-2 cells. The DPP-IV-inhibitory activity was also measured after IB passage using a Caco2/HT29-MTX mixed-cell model. The peptide profiles were analyzed using reversed-phase high-performance liquid chromatography tandem mass spectrometry (RP-HPLC-MS/MS) with MS data bioinformatics management, and the IC50 of the identified peptides was predicted in silico. The in vitro and in vivo DPP-IV-inhibitory activity of the proteins differed according to their origin. Vegetable proteins and hemoglobin yielded the highest DPP-IV-inhibitory activity in vivo. However, no correlation was found between the in vivo and in vitro results. This may be partially explained by the differences between the peptidome analysis and the in silico predictions, as well as the study complexity.

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Section: Introductionmentioning

confidence: 99%

In Vivo and In Vitro Comparison of the DPP-IV Inhibitory Potential of Food Proteins from Different Origins after Gastrointestinal Digestion

Fleury

Deracinois

Dugardin

et al. 2022

IJMS

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“…After a literature review to collect compounds 33 , iGemdock v2.1 was used to perform the docking study for the enzyme (2w26) that interacts with the selected phenolic or Phenolic acid compounds, natural compounds such as aglycones and their derivatives, vitamins, and some approved drugs by the FDA. It is available for free and was used in previous research [34][35][36][37][38] .…”

Section: Protein-ligand Dockingmentioning

confidence: 99%

An in-Silico Study of Some Natural and Synthetic Compounds as Potential Inhibitors for Factor Xa

صباغ

AlBeik²,

Hadid³

2022

Bulletin of Pharmaceutical Sciences. Assiut

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Recent research has demonstrated the significance of factor Xa and its inhibitors as a possible treatment approach. Since currently approved drugs have a wide variety of side effects, new anticoagulants must be developed. So, the goal of this in silico research is to find molecules that may act as factor Xa inhibitors. The structure of factor Xa (2w26) was obtained from the Protein Data Bank database, while the structures of the organic compounds were obtained from the ZINC database or via other means. In order to verify the anti-factor Xa action of these chemical compounds, iGemDock program was used to perform molecular docking. The compound ( 1) [5-hydroxy-2-(3-hydroxy-4-phenylmethoxyphenyl)-3,7bis(phenylmethoxy)chromen-4-one] showed the best interaction value against the 2w26 enzyme, and the binding energy was (-167.702 kcal/ mol); whereas the reference rivaroxaban was (-149.661 kcal/mol). These results lead to suggest new organic compounds as factor Xa inhibitors and further in vitro studies are required to confirm.

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“…Afterward, their effect on coagulation times PT, and aPTT in vitro has been evaluated. The program software is available for free and was used in previous research [52].…”

Section: Virtual Screening Using Igemdock V21mentioning

confidence: 99%

“…So, many sampling algorithms have been developed and used widely in software for molecular docking [46]. Auto Dock Vina [47][48][49] and iGemdock [50][51][52][53] are among the most common and most broadly used molecular docking programs [54].…”

Section: Introductionmentioning

confidence: 99%

In Silico and In Vitro Anticoagulant Activity Detection of Quercetin, Rutin, and Troxerutin as New Potential Inhibitors of Factor Xa

2022

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Factor Xa is an important target for the development of new anticoagulants. The present study aims to examine the effect of three compounds (Quercetin and its derivatives Rutin and Troxerutin) in comparison with Rivaroxaban on activated Human Clotting factor X (PDB ID: 2w26). Molecular docking was performed using iGemDock v2.1 software to predict their antiactivating factor X activity and Autodock vina software to check the bonds formed. Next, the in vitro biological effects on both PT and aPTT coagulation time were studied. Troxerutin and Rutin showed the best interaction values with 2w26 enzyme, and the binding energy was [(-185.743 kcal/mol) and (-178.034 kcal/mol)], respectively, using iGemDock; While the binding energy of Rivaroxaban was (-149.661 kcal/mol). The results of the in vitro study showed that the studied compounds have an effect in prolonging PT, aPTT compared to both negative and positive control. However, Troxerutin gave the highest prolongation of the evaluated clotting times, consistent with the in silico study the results..

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A Study on the Inhibitory Potential of Dpp-Iv Enzyme by Lobeline through In silico and In vivo Approaches

Cited by 4 publications

References 36 publications

In Vivo and In Vitro Comparison of the DPP-IV Inhibitory Potential of Food Proteins from Different Origins after Gastrointestinal Digestion

In Vivo and In Vitro Comparison of the DPP-IV Inhibitory Potential of Food Proteins from Different Origins after Gastrointestinal Digestion

An in-Silico Study of Some Natural and Synthetic Compounds as Potential Inhibitors for Factor Xa

In Silico and In Vitro Anticoagulant Activity Detection of Quercetin, Rutin, and Troxerutin as New Potential Inhibitors of Factor Xa

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