Overview of key molecular and pharmacological targets for diabetes and associated diseases

Shahcheraghi, Seyed Hossein; Aljabali, Alaa A. A.; Zoubi, Mazhar Salim Al; Mishra, Vijay; Charbe, Nitin; Haggag, Yusuf A.; Shrivastava, Garima; Almutary, Abdulmajeed G; Alnuqaydan, Abdullah M; Barh, Debmalya; Dua, Kamal; Chellappan, Dinesh Kumar; Gupta, Gaurav; Lotfi, Marzieh; Serrano‐Aroca, Ãngel; Bahar, Bojlul; Mishra, Yogendra Kumar; Takayama, Kazuo; Panda, Pritam Kumar; Bakshi, Hamid A.; Tambuwala, Murtaza M.

doi:10.1016/j.lfs.2021.119632

Cited by 13 publications

(8 citation statements)

References 134 publications

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“…Use case scenario: NCs present in natural sources that modulate target proteins associated with T2DM complications To investigate the practical application of OptNCMiner in novel NC discovery, the program was trained using the base dataset to identify NCs present in natural sources that modulate target proteins associated with T2DM complications. Diabetic nephropathy, diabetic keratopathy, and cardiomyopathy were chosen as T2DM complications and target proteins for each complication were identi ed based on previous reports (41). Among the identi ed target proteins, 8 proteins with interacting compound data were selected and used as target protein candidates: Peroxisome proliferator activated receptor α (PPARα), Yes-associated protein (YAP), Phosphoinositide 3-kinase (PI3K), Protein kinase C β (PKCβ), Tolllike receptor 4 (TLR4), Sodium/glucose cotransporter 2 (SGLT2), G protein-coupled receptor 120 (GPR120), and Nuclear factor erythroid 2-related factor 2 (Nrf-2) (Additional le 1: Table S3).…”

Section: Output Validationmentioning

confidence: 99%

OptNCMiner: A deep learning approach for the discovery of natural compounds modulating disease-specific multi-targets

Shin

Park

et al. 2022

Preprint

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Background: Due to their diverse bioactivity, natural product (NP)s have been developed as commercial products in the pharmaceutical, food and cosmetic sectors as natural compound (NC)s and in the form of extracts. Following administration, NCs typically interact with multiple target proteins to elicit their effects. Various machine learning models have been developed to predict multi-target modulating NCs with desired physiological effects. However, due to deficiencies with existing chemical-protein interaction datasets, which are mostly single-labeled and limited, the existing models struggle to predict new chemical-protein interactions. New techniques are needed to overcome these limitations.Results: We propose a novel NC discovery model called OptNCMiner that offers various advantages. The model is trained via end-to-end learning with a feature extraction step implemented, and it predicts multi-target modulating NCs through multi-label learning. In addition, it offers a few-shot learning approach to predict NC-protein interactions using a small training dataset. OptNCMiner achieved better prediction performance in terms of recall than conventional classification models. It was tested for the prediction of NC-protein interactions using small datasets and for a use case scenario to identify multi-target modulating NCs for type 2 diabetes mellitus complications.Conclusions: OptNCMiner identifies NCs that modulate multiple target proteins, which facilitates the discovery and the understanding of biological activity of novel NCs with desirable health benefits.

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Section: Output Validationmentioning

confidence: 99%

OptNCMiner: A deep learning approach for the discovery of natural compounds modulating disease-specific multi-targets

Shin

Park

et al. 2022

Preprint

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Section: Grand Challenge: the Epidemic Of Metabolic Diseasesmentioning

confidence: 99%

“…Diabetes is a metabolic disease that effects several organs that result in poor health and mortality ( Shahcheraghi et al, 2021 ). Type 1 diabetes is characterized by a lack of insulin production and type 2 diabetes is associated with obesity and decreased physical activity which results in an ineffective use of insulin ( Shahcheraghi et al, 2021 ). Although the discovery of insulin occurred 100 years ago and diabetes can be treated, diabetic complications such as neuropathy, retinopathy, nephropathy, strokes, and heart attacks remain common ( Gupta et al, 2021 ; Shahcheraghi et al, 2021 ).…”

Section: Grand Challenge: the Epidemic Of Metabolic Diseasesmentioning

confidence: 99%

“…In addition, the precise role of inflammation to diabetic complications remains unclear. Experimental studies suggest that an accelerated aging phenotype, coupled with a maladaptive immune response contribute to diabetic complications ( Gupta et al, 2021 ; Shahcheraghi et al, 2021 ). Thus, there is an urgent need to understand the mechanisms and pathology by which diabetes and associated inflammation affects different organ systems.…”

Section: Grand Challenge: the Epidemic Of Metabolic Diseasesmentioning

confidence: 99%

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Frontiers in metabolic physiology grand challenges

Imig

2022

Front. Physiol.

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“…Several reports indicate a potential role of Vaccinium in the control of diabetes, and it has been used in traditional medicine for centuries to ameliorate its symptoms [101][102][103]. Approximately 90% of the diabetic patients have type 2 diabetes that is characterized by peripheral insulin resistance and by a reduction in the number and the activity of pancreatic β-cells [104]. Anthocyanins from Vaccinium have potential in terms of lowering the risk of developing various chronic diseases due to their ability to regulate energy metabolism as well as through their anti-inflammatory and anti-oxidative effects [11].…”

Section: Vaccinium and Diabetesmentioning

confidence: 99%

Vaccinium Species (Ericaceae): From Chemical Composition to Bio-Functional Activities

et al. 2021

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The genus Vaccinium L. (Ericaceae) includes more than 450 species, which mainly grow in cooler areas of the northern hemisphere. Vaccinium species have been used in traditional medicine of different cultures and the berries are widely consumed as food. Indeed, Vaccinium supplement-based herbal medicine and functional food, mainly from V. myrtillus and V. macrocarpon, are used in Europe and North America. Biological studies support traditional uses since, for many Vaccinium components, important biological functions have been described, including antioxidant, antitumor, anti-inflammatory, antidiabetic and endothelium protective activities. Vaccinium components, such as polyphenols, anthocyanins and flavonoids, are widely recognized as modulators of cellular pathways involved in pathological conditions, thus indicating that Vaccinium may be an important source of bioactive molecules. This review aims to better describe the bioactivity of Vaccinium species, focusing on anti-inflammatory and endothelial protective cellular pathways, modulated by their components, to better understand their importance for public health.

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Overview of key molecular and pharmacological targets for diabetes and associated diseases

Cited by 13 publications

References 134 publications

OptNCMiner: A deep learning approach for the discovery of natural compounds modulating disease-specific multi-targets

OptNCMiner: A deep learning approach for the discovery of natural compounds modulating disease-specific multi-targets

Frontiers in metabolic physiology grand challenges

Vaccinium Species (Ericaceae): From Chemical Composition to Bio-Functional Activities

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