A new flavonoid from the leaves of <i>Atalantia monophylla</i> (L.) DC

Posri, Priyapan; Suthiwong, Jittra; Takomthong, Pitchayakarn; Wongsa, Chatchawan; Chuenban, Chindawadee; Boonyarat, Chantana; Yenjai, Chavi

doi:10.1080/14786419.2018.1457667

Cited by 15 publications

(2 citation statements)

References 19 publications

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“…149 Interestingly, deficiency in autophagy has been linked to stabilization of Twist1 and thus, harmol may act to destabilize Twist1 through an autophagic pathway. 150 Atalantraflavone, a flavonoid recently discovered in leaf extracts from the near-citrus fruit tree Atalantia monophylla (L.) DC, 151 decreased the stability of Twist1 via elevated ubiquitin-mediated proteasomal degradation in a dose-dependent manner, leading to inhibition of NSCLC cell proliferation and reduction in metastatic potential. 152 Lack of significant change in Twist1 mRNA suggests that atalantraflavone does not affect TWIST1 transcription.…”

Section: Targeting Twist1 With Small Moleculesmentioning

confidence: 99%

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Wang

Rho

Eguiarte-Solomon³

et al. 2022

Molecular Carcinogenesis

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Cutaneous squamous cell carcinoma (cSCC) represents an important clinical problem requiring novel approaches for both prevention and treatment. The transcription factor, Twist-related protein 1 (Twist1), has been identified as having a key mechanistic role in the development and progression of cSCC. Studies in relevant mouse models of cSCC have shown that Twist1 regulates epithelial-mesenchymal transition (EMT) and stemness driving progression and metastasis of cSCC. In addition, further research has shown that Twist1 regulates the balance between keratinocyte proliferation and differentiation and therefore impacts earlier stages of cSCC development. Through use of keratinocyte specific Twist1 knockout models, a role for this gene in keratinocyte stem cell homeostasis has been revealed. As a transcription factor, Twist1 regulates a large number of genes both in a positive, as well as a negative manner across several interdependent pathways. Studies in keratinocyte specific knockout models have shown that Twist1 upregulates the expression of genes involved in proliferation, stemness, and EMT while downregulating the expression of genes associated with differentiation. Furthermore, a number of compounds, including naturally occurring compounds, have been identified that target Twist1 and can block its effects in cancer cells and in keratinocytes in vivo. Collectively, the current understanding of Twist1 function in cSCC development and progression suggests that it represents a potential target for prevention and treatment of cSCC.

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Section: Targeting Twist1 With Small Moleculesmentioning

confidence: 99%

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Wang

Rho

Eguiarte-Solomon³

et al. 2022

Molecular Carcinogenesis

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“…With 8 NP classes, the total number of test cases is then 40. The refs − report new NP elucidation of families that we are interested in (see Tables S10–S17). Six different XGBoost models were tested on these cases: five models with the hyperparameters that achieved the highest f1-scores while training with the different resampling techniques and a model that employed a different input representation.…”

Section: Test Casesmentioning

confidence: 99%

Prediction of Natural Product Classes Using Machine Learning and ¹³C NMR Spectroscopic Data

Martínez-Treviño¹,

Uc-Cetina

Fernández-Herrera³

et al. 2020

J. Chem. Inf. Model.

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Structure elucidation of chemical compounds is a complex and challenging activity that requires expertise and well-suited tools. To assign the molecular structure of a given compound, 13C NMR is one of the most widely used techniques because of its broad range of structural information. Taking into account that molecules found in nature can be grouped into natural product (NP) classes because of structural similarities, we explore the possibility of NP class prediction via 13C NMR data. Employing freely available 13C NMR data of NPs, we trained four classifiers for the prediction of eight common NP classes. The best performance was obtained with the XGBoost classifier reaching f1-scores of above 0.82. We also performed experiments with different percentages of positive samples, including the glycoside presence. Furthermore, we tested cases outside the data set, yielding performances above 80% for most classes. For the chromans case, we restricted the test examples to the coumarin subclass, and the prediction accuracy increased to 100%.

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Synthesis of Flavonoid/Sulfonamide Hybrid Molecules as Potential Inhibitors of Cholinesterases: In Vitro, Molecular Docking, Molecular Dynamic and DFT Studies

Oztekin,

Stellenboom

2024

ChemistrySelect

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Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) belong to the serine hydrolase enzyme family and has been implicated to have a crucial role in the pathogenesis of Alzheimer's disease (AD). Generally, treatment strategies for AD has focused on the development of inhibitors of these enzymes. In light of this, a series of novel N‐(4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide compounds were synthesized and their inhibition potentials on AChE and BChE were investigated. The results of the inhibition assay revealed that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide was the most active inhibitor for AChE and BChE with Ki values of 4.2 nM and 0.15 μM, respectively. Compared to the standard drug rivastigmine all the synthesized compounds showed better AChE inhibition properties, while the BChE inhibition was comparable to the drug. The results indicate that N‐(2,6‐dichloro‐4‐sulfamoylphenyl)‐3‐methylflavone‐8‐carboxamide can be considered for further drug design studies and thus DFT analyses were conducted to clarify the electronic structures of the compound while molecular docking was performed to determine the binding affinities of the compound to target proteins. Lastly, molecular dynamics (MD) simulations were conducted to assess the time‐dependent behavioral changes of the complexes.

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A new flavonoid from the leaves of Atalantia monophylla (L.) DC

Cited by 15 publications

References 19 publications

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Prediction of Natural Product Classes Using Machine Learning and ¹³C NMR Spectroscopic Data

Synthesis of Flavonoid/Sulfonamide Hybrid Molecules as Potential Inhibitors of Cholinesterases: In Vitro, Molecular Docking, Molecular Dynamic and DFT Studies

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A new flavonoid from the leaves of Atalantia monophylla (L.) DC

Cited by 15 publications

References 19 publications

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Twist1 as a target for prevention of cutaneous squamous cell carcinoma

Prediction of Natural Product Classes Using Machine Learning and 13C NMR Spectroscopic Data

Synthesis of Flavonoid/Sulfonamide Hybrid Molecules as Potential Inhibitors of Cholinesterases: In Vitro, Molecular Docking, Molecular Dynamic and DFT Studies

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Product

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Prediction of Natural Product Classes Using Machine Learning and ¹³C NMR Spectroscopic Data