Caffeoyl malic acid is a potential dual inhibitor targeting TNFα/IL-4 evaluated by a combination strategy of network analysis-deep learning-molecular simulation

Wang, Yue; Qin, Dongya; Jin, Liang; Liang, Guizhao

doi:10.1016/j.compbiomed.2022.105410

Cited by 7 publications

(8 citation statements)

References 43 publications

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“…From the traditional Chinese medicine database in Taiwan, and computer algorithms, they identified that the CMA molecule was able to inhibit the key therapeutic targets of TNFa and IL‐4. The study findings suggest that CMA is a potential dual TNF‐α/IL‐4 inhibitor for the treatment of AD 30 …”

Section: Discussionmentioning

confidence: 81%

“…Another study of caffeoyl malic acid (CMA) for the treatment of AD 30 . Tumor Necrosis Factor‐a (TNF‐α) is actively involved in inflammation processes and Interleukin‐4 (IL‐4) is a key cytokine in the development of the allergic inflammation.…”

Section: Discussionmentioning

confidence: 99%

“…Another study of caffeoyl malic acid (CMA) for the treatment of AD. 30 Tumor Necrosis Factor-a (TNF-α) is actively involved in inflammation processes and Interleukin-4 (IL-4) is a key cytokine in the development of the allergic inflammation. This study investigates CMA via network analysis-deep learning-molecular simulation to identify key therapeutic targets and screening of potential multitarget drugs for the treatment AD.…”

Section: Malic Acidmentioning

confidence: 99%

“…The study findings suggest that CMA is a potential dual TNF-α/IL-4 inhibitor for the treatment of AD. 30 A study evaluated whether some combination therapies would show increased efficacy over monotherapies with the same HAs. 31 The study evaluated the effectiveness of a topical combination of alpha-and beta-HAs, antibacterial molecules and Herculean thermal water as applied to acne-prone skin over a 28-day period.…”

Section: Malic Acidmentioning

confidence: 99%

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The hydroxy acids: Where have we been and what's new?

Egli,

Min,

Afzal

et al. 2023

Dermatological Reviews

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BackgroundHydroxy Acids (HAs) have been used for the treatment of a variety of skin conditions over the past several decades. The use of HAs in both pharmaceutical and cosmetic products has increased dramatically, and recent studies have been undertaken to better understand their applications and therapeutic benefits.ObjectiveThe objective of this review is to study the uses of HAs and the emerging ingredients in the area of skin care. Relevant studies were reviewed and categorized by their molecular structure into alpha HAs (AHAs) beta HAs (BHAs) and poly HAs (PHAs).MethodsA literature search on the use of HAs was performed and articles for review were selected from more recent dermatological studies published from 2018 to 2023. Older research was compared to the results of newer studies to identify the more recent developments in the application of HAs in skin care.ResultsThe new research was concentrated in the area of new uses of the HAs, validating therapeutic concentrations and protocols, and combining different HAs and other chemicals to improve therapeutic outcomes for a variety of skin conditions and diseases.ConclusionThe articles included for review demonstrate the continuing therapeutic relevance and developments in the application of HAs in skin care.

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Section: Discussionmentioning

confidence: 81%

Section: Discussionmentioning

confidence: 99%

Section: Malic Acidmentioning

confidence: 99%

Section: Malic Acidmentioning

confidence: 99%

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The hydroxy acids: Where have we been and what's new?

Egli,

Min,

Afzal

et al. 2023

Dermatological Reviews

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“…ANPELA 1.0 has become popular and indispensable as an instructive tool in quantitative bulk proteomics for disease prediction, [1][2][3] biomarker discovery, [4][5][6] innovative drug target identification, [7,8] novel peptide exploration, [9,10] experimental scheme establishment, [11] bioinformatic algorithm comparison, and development. [12][13][14] Although bulk proteome profiling has become progressively quantitative and comprehensive, [12,15] it has historically been limited to the relatively large sample cohorts required to satisfy an in-depth measurement, which typically represents a population average and obscure significant cellular heterogeneity.…”

Section: Introductionmentioning

confidence: 99%

ANPELA: Significantly Enhanced Quantification Tool for Cytometry‐Based Single‐Cell Proteomics

et al. 2023

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ANPELA is widely used for quantifying traditional bulk proteomic data. Recently, there is a clear shift from bulk proteomics to the single-cell ones (SCP), for which powerful cytometry techniques demonstrate the fantastic capacity of capturing cellular heterogeneity that is completely overlooked by traditional bulk profiling. However, the in-depth and high-quality quantification of SCP data is still challenging and severely affected by the large numbers of quantification workflows and extreme performance dependence on the studied datasets. In other words, the proper selection of well-performing workflow(s) for any studied dataset is elusory, and it is urgently needed to have a significantly enhanced and accelerated tool to address this issue. However, no such tool is developed yet. Herein, ANPELA is therefore updated to its 2.0 version (https://idrblab.org/anpela/), which is unique in providing the most comprehensive set of quantification alternatives (>1000 workflows) among all existing tools, enabling systematic performance evaluation from multiple perspectives based on machine learning, and identifying the optimal workflow(s) using overall performance ranking together with the parallel computation. Extensive validation on different benchmark datasets and representative application scenarios suggest the great application potential of ANPELA in current SCP research for gaining more accurate and reliable biological insights.

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Antinociceptive Effect of Dillenia indica (Linn.) Mediated by Opioid and Cannabinoid Systems: Pharmacological and Chemical Studies

de Souza,

Dias Viegas,

Gontijo

et al. 2024

Chemistry & Biodiversity

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Dillenia indica (Linn.) has been reported by several biological activities, including anti‐inflammatory, antioxidant, antidiabetic, anti‐hyperglycemic, antiproliferative, antimutagenic, anticholinesterase, and antimicrobial. In Brazilian traditional medicine, the fruits of D. indica have been used to treat general topical pain and inflammation, but with no scientific validation. Thus, aiming to study its chemical constitution and antinociceptive properties, the crude extract (CE) and fractions obtained from the fruits of D. indica were submitted to an in vivo pharmacological evaluation and a dereplication study by LC‐MS/MS analysis, assisted by the Global Natural Product Social Molecular Networking (GNPS). The oral antinociceptive activity of the fruits of D. indica and the possible participation of the opioid and cannabinoid systems were demonstrated in the formalin‐induced nociception model. The chemical dereplication study led us to identify several known chemical constituents, including flavonoids, such as caffeoylmalic acid, naringenin, quercetin, and kaempferol. According to literature data, our results are compatible with significant antinociceptive and anti‐inflammatory activities. Therefore, the flavonoid constituents of the fruits of D. indica are probably responsible for its antioxidant, anti‐inflammatory, and antinociceptive effects mediated by both opioid and cannabinoid systems, confirming its folk use in the treatment and relief of pain.

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Caffeoyl malic acid is a potential dual inhibitor targeting TNFα/IL-4 evaluated by a combination strategy of network analysis-deep learning-molecular simulation

Cited by 7 publications

References 43 publications

The hydroxy acids: Where have we been and what's new?

The hydroxy acids: Where have we been and what's new?

ANPELA: Significantly Enhanced Quantification Tool for Cytometry‐Based Single‐Cell Proteomics

Antinociceptive Effect of Dillenia indica (Linn.) Mediated by Opioid and Cannabinoid Systems: Pharmacological and Chemical Studies

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