<i>Potentilla fulgens</i> upregulate GLUT4, AMPK, AKT and insulin in alloxan-induced diabetic mice: an in vivo and in silico study

Thabah, Daiahun; Syiem, Donkupar; Pakyntein, Careen Liza; Banerjee, Sagnik; Kharshiing, Cynthia Erica; Bhattacharjee, Atanu

doi:10.1080/13813455.2021.1897145

Cited by 8 publications

(8 citation statements)

References 51 publications

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“…As can be seen in Figure c, hydrogen bonds between residue Asp-215 and the complex were successfully reproduced in this investigation Figure . This information of great value replicated data already reported in the literature . Once information about the orientation and hydrogen bonds made by the complex were acquired, MD simulations could be initiated, where the system protein–vanadium complex was investigated in a more in-depth way over a period of time.…”

Section: Resultssupporting

confidence: 60%

“…Molegro Virtual Docker 2011 was used for the docking studies. 41 Based on the information reported in the literature, 42 the antidiabetic drug known as metformin interacts with residues from AMPK-α1, namely, Asp-217, Asp-218, and Asp-219. Such residues are equivalent to residues Asp-215, Asp-216, and Asp-217 in the homology model.…”

Section: Structural Optimizationmentioning

confidence: 99%

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Molecular Dynamics-Assisted Interaction of Vanadium Complex–AMPK: From Force Field Development to Biological Application for Alzheimer’s Treatment

et al. 2023

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A large part of the world’s population is affected by Alzheimer’s disease (AD) and diabetes mellitus type 2, which cause both social and economic impacts. These two conditions are associated with one protein, AMPK. Studies have shown that vanadium complexes, such as bis(N′,N′-dimethylbiguanidato)-oxovanadium(IV), VO(metf)2·H2O, are potential agents against AD. A crucial step in drug design studies is obtaining information about the structure and interaction of these complexes with the biological targets involved in the process through molecular dynamics (MD) simulations. However, MD simulations depend on the choice of a good force field that could present reliable results. Moreover, general force fields are not efficient for describing the properties of metal complexes, and a VO(metf)2·H2O-specific force field does not yet exist; thus, the proper development of a parameter set is necessary. Furthermore, this investigation is essential and relevant given the importance for both the scientific community and the population that is affected by this neurodegenerative disease. Therefore, the present work aims to develop and validate the AMBER force field parameters for VO(metf)2·H2O since the literature lacks such information on metal complexes and investigate through classical molecular dynamics the interactions made by the complex with the protein. The proposed force field proved to be effective for describing the vanadium complex (VC), supported by different analyses and validations. Moreover, it had a great performance when compared to the general AMBER force field. Beyond that, MD findings provided an in-depth perspective of vanadium complex–protein interactions that should be taken into consideration in future studies.

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Section: Resultssupporting

confidence: 60%

Section: Structural Optimizationmentioning

confidence: 99%

Molecular Dynamics-Assisted Interaction of Vanadium Complex–AMPK: From Force Field Development to Biological Application for Alzheimer’s Treatment

et al. 2023

View full text Add to dashboard Cite

show abstract

“…Virtual Docker 2011 was used for the docking studies. 41 Based on the information reported by literature, 42 the antidiabetic drug known as metformin interacts with residues from AMPK-α1, namely Asp-217, Asp-218, and Asp-219. Such residues are equivalent to residues Asp-215, Asp-216, and Asp-217 in the homology model.…”

Section: Docking Studiesmentioning

confidence: 99%

“…This information of great value replicated data already reported in literature. 42 Once information about the orientation and hydrogen bonds made by the complex was acquired, MD simulations could be initiated, where the system proteinvanadium complex was investigated in a more in-depth way over a period of time.…”

Section: Molecular Dockingmentioning

confidence: 99%

Molecular Dynamics-Assisted Interaction of Vanadium Complex-AMPK: from the force field development to biological application for Alzheimer's treatment

Tavares

Santos

Cunha

et al. 2022

Preprint

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Large part of the world population is affected by Alzheimer's disease (AD) and diabetes mellitus type 2, which causes both social and economic impacts. These two conditions are associated to one protein, AMPK. Studies have shown that vanadium complexes, such as bis(N',N'-dimethylbiguanidato)-oxovanadium (IV), VO(metf)2·H2O, are potential agents against AD. A crucial step on drug design studies is obtaining information about the structure and interaction of these complexes with the biological targets involved in the process through Molecular Dynamics (MD) simulations. However, MDs depend on the choice of a good force field that could present reliable results. Moreover, general force fields are not efficient for describing the properties of metal complexes, and a VO(metf)2·H2O-specific force field does not yet exist, thus the proper development of a parameter set is necessary. Furthermore, this investigation is essential and relevant given the importance for both the scientific community and the population that is affected by this neurodegenerative disease. Therefore, the present work aims to develop and validate the AMBER force field parameters for VO(metf)2·H2O, since the literature lacks such information on metal complexes, and investigate through classical molecular dynamics the interactions made by the complex with the protein. The proposed force field proved to be effective for describing the vanadium complex (VC), supported by different analysis and validation. Moreover, it had a great performance when compared to general AMBER force field. Beyond that, MD findings provided an in-depth perspective about vanadium complex-protein interactions that should be taken into consideration in future studies.

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“…Animals were given a single dose intravenous (i.v) administration of alloxan monohydrate (80 mg/kg b.w.) [16] prepared in acetate buffer (0.15 M, pH 4.5) and fasting blood glucose levels were determined 72 hours post administration. The control group received only the buffer.…”

Section: Preparation Of Diabetic Micementioning

confidence: 99%

Amelioration of altered adipokines expression and serine/threonine phosphorylation of IRS1 in alloxan-induced diabetes by Potentilla fulgens and its phytochemical constituents

Sunn¹,

Syiem²,

Pakyntein³

2021

GSC Biol. and Pharm. Sci.

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The present study is aimed at investigating the modulation of serine/threonine phosphorylation of IRS1 and the gene expression oftotal IRS1 and adipokines including TNF-α, IL-6 and adiponectin by the plant Potentilla fulgens and its phytochemical constituents catechin and (-)-epicatechin. Alloxan-induced diabetic mice with a two-to three-fold increase in their blood glucose levels were taken for the study. The level of protein expression of total (tIRS1), tyrosine (pIRS1), and serine phosphorylated IRS1 (pIRS1 ser307) was analysed by western blot, and the gene expression level of tIRS1, IL-6, TNF-α, and adiponectin was analysed by real-time PCR. Since evidences strongly suggest that adiponectin, TNF-α, and IL-6 are implicated in insulin resistance and type 2 diabetes, therefore these three adipokines have been targeted in our study with an aim to investigate the anti-inflammatory and antidiabetic effects of our plant Potentillafulgens(PF) andits phytochemicals. The results strongly demonstrates the capability of PF and its phytochemicals to modulate the ser/thr phosphorylation state of IRS1 by downregulating the serine 307 phosphorylation while simultaneously upregulating the tyrosine phosphorylation of IRS1. The results also indicate the ability of the same to alleviate inflammation in alloxan induced diabetes by modulating the expression of the insulin sensitizing hormone adiponectin and the pro-inflammatory cytokines L-6 and TNF-α.

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Potentilla fulgens upregulate GLUT4, AMPK, AKT and insulin in alloxan-induced diabetic mice: an in vivo and in silico study

Cited by 8 publications

References 51 publications

Molecular Dynamics-Assisted Interaction of Vanadium Complex–AMPK: From Force Field Development to Biological Application for Alzheimer’s Treatment

Molecular Dynamics-Assisted Interaction of Vanadium Complex–AMPK: From Force Field Development to Biological Application for Alzheimer’s Treatment

Molecular Dynamics-Assisted Interaction of Vanadium Complex-AMPK: from the force field development to biological application for Alzheimer's treatment

Amelioration of altered adipokines expression and serine/threonine phosphorylation of IRS1 in alloxan-induced diabetes by Potentilla fulgens and its phytochemical constituents

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