Novel thiazolidinedione analog reduces a negative impact on bone and mesenchymal stem cell properties in obese mice compared to classical thiazolidinediones

Beňová, Andrea; Ferenčáková, Michaela; Bardová, Kristina; Funda, Jiří; Procházka, Jan; Špoutil, František; Čajka, Tomáš; Dzubanova, Martina; Balcaen, Tim; Kerckhofs, Greet; Willekens, Wouter; Lenthe, G. Harry van; Alquicer, Glenda; Pecinová, Alena; Mráček, Tomáš; Horakova, Olga; Rossmeisl, Martin; Kopecký, Jan; Tencerová, Michaela

doi:10.1016/j.molmet.2022.101598

Cited by 21 publications

(14 citation statements)

References 70 publications

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“…Furthermore, molecular docking studies have demonstrated that POMs can interact with key targets involved in glucose metabolism, such as glucokinase and peroxisome proliferator-activated receptor-γ (PPARγ). Glucokinase is an enzyme that regulates glucose uptake in the liver, while PPARγ is a nuclear receptor involved in glucose homeostasis and insulin sensitivity. , …”

Section: Introductionmentioning

confidence: 99%

“…Glucokinase is an enzyme that regulates glucose uptake in the liver, while PPARγ is a nuclear receptor involved in glucose homeostasis and insulin sensitivity. 6,8 Despite these promising findings, the potential clinical applications of POMs as antidiabetic agents have yet to be fully explored. Therefore, further research is needed to elucidate the molecular mechanisms underlying their antidiabetic activities and to optimize their therapeutic potential.…”

Section: ■ Introductionmentioning

confidence: 99%

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Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

Maalaoui,

Agwamba,

Louis

et al. 2023

Inorg. Chem.

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In the current work, a novel vanadotungstate compound, (C 6 H 9 N 2 ) 4 [V 2 W 4 O 19 ]•2H 2 O (1), is isolated by a simple stepwise synthesis method and characterized by a combined experimental and computational study. Molecular docking is conducted for the first time for this kind of substituted Lindqvist polyoxometalates to elucidate for potential antidiabetic activity. Hence, the modeling results revealed a significant docking score of the reported compound to bind to the active sites of α-glucosidase with the lowest binding energy of −5.7 kcal/mol, where the standard drug acarbose (ACB) had −4.6 kcal/mol binding energy. The stability of binding was enhanced by strong H-bonding, van der Waals, and electrostatic interactions occurring in the threedimensional (3D) supramolecular network of polyanionic vanadotungstate subunits templated with organic moieties as shown by X-ray diffraction and Hirshfeld analyses. Furthermore, density functional theory (DFT) calculations supported with photophysical measurements are also discussed to predict the most chemical and biological reactivity. In this view, the complete description of electronic and biological features of (1) is enhanced by determination of the highest occupied molecular orbital (HOMO)/least unoccupied molecular orbital (LUMO) energy, electronic density, ionization potential, electron affinity, etc. These chemical descriptors, intermolecular interactions, docking score, and binding free energy estimation are essential in understanding the reactivity of this bioactive compound offering potential inhibition of the α-glucosidase enzyme.

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Section: Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

Maalaoui,

Agwamba,

Louis

et al. 2023

Inorg. Chem.

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“…When processing raw HILIC-MS files from multiple studies focused on nutritional intervention [ 56 ], circadian rhythms [ 57 ], drug treatment [ 58 ], or heart failure [ 59 ], we have repeatedly observed an unknown metabolite eluted at a retention time of 4.3 min and m / z 188.1757 in various biological matrices (biofluids, tissues, feces) of rats, mice, and humans ( Figure S1 ).…”

Section: Resultsmentioning

confidence: 99%

Hydrophilic Interaction Liquid Chromatography–Hydrogen/Deuterium Exchange–Mass Spectrometry (HILIC-HDX-MS) for Untargeted Metabolomics

Cajka,

Hricko,

Rakusanova

et al. 2024

IJMS

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Liquid chromatography with mass spectrometry (LC-MS)-based metabolomics detects thousands of molecular features (retention time–m/z pairs) in biological samples per analysis, yet the metabolite annotation rate remains low, with 90% of signals classified as unknowns. To enhance the metabolite annotation rates, researchers employ tandem mass spectral libraries and challenging in silico fragmentation software. Hydrogen/deuterium exchange mass spectrometry (HDX-MS) may offer an additional layer of structural information in untargeted metabolomics, especially for identifying specific unidentified metabolites that are revealed to be statistically significant. Here, we investigate the potential of hydrophilic interaction liquid chromatography (HILIC)-HDX-MS in untargeted metabolomics. Specifically, we evaluate the effectiveness of two approaches using hypothetical targets: the post-column addition of deuterium oxide (D2O) and the on-column HILIC-HDX-MS method. To illustrate the practical application of HILIC-HDX-MS, we apply this methodology using the in silico fragmentation software MS-FINDER to an unknown compound detected in various biological samples, including plasma, serum, tissues, and feces during HILIC-MS profiling, subsequently identified as N1-acetylspermidine.

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“…MSDC-0602 K, a PPARγ-sparing thiazolidinedione targeting to MPC, ameliorates hepatic steatosis, circulating liver enzymes and insulin sensitivity in phase IIb trials as well as in mouse models [ 58 ]. More importantly, MSDC-0602 K tended to have fewer side effects on bone density and mesenchymal stem cell properties in obese mice compared to pioglitazone [ 59 ].…”

Section: Treatment Of Masld From the Perspective Of Metabolic Dysfunc...mentioning

confidence: 99%

Advances in management of metabolic dysfunction-associated steatotic liver disease: from mechanisms to therapeutics

Jiang,

Wu,

Zhu

et al. 2024

Lipids Health Dis

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Metabolic dysfunction-associated steatotic liver disease (MASLD) is the leading cause of chronic liver disease that affects over 30% of the world’s population. For decades, the heterogeneity of non-alcoholic fatty liver disease (NAFLD) has impeded our understanding of the disease mechanism and the development of effective medications. However, a recent change in the nomenclature from NAFLD to MASLD emphasizes the critical role of systemic metabolic dysfunction in the pathophysiology of this disease and therefore promotes the progress in the pharmaceutical treatment of MASLD. In this review, we focus on the mechanism underlying the abnormality of hepatic lipid metabolism in patients with MASLD, and summarize the latest progress in the therapeutic medications of MASLD that target metabolic disorders.

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Novel thiazolidinedione analog reduces a negative impact on bone and mesenchymal stem cell properties in obese mice compared to classical thiazolidinediones

Cited by 21 publications

References 70 publications

Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

Combined Experimental and Computational Study of V-Substituted Lindqvist Polyoxotungstate: Screening by Docking for Potential Antidiabetic Activity

Hydrophilic Interaction Liquid Chromatography–Hydrogen/Deuterium Exchange–Mass Spectrometry (HILIC-HDX-MS) for Untargeted Metabolomics

Advances in management of metabolic dysfunction-associated steatotic liver disease: from mechanisms to therapeutics

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