Investigation of phytoconstituents of Enicostemma littorale as potential glucokinase activators through molecular docking for the treatment of type 2 diabetes mellitus

Khan, Altaf; Unnisa, Aziz; Sohel, M. D. Didaruzzaman; Date, Mohan; Panpaliya, Nayan; Saboo, Shweta; Siddiqui, Falak A.; Khan, Sharuk L.

doi:10.1007/s40203-021-00116-8

Cited by 23 publications

(24 citation statements)

References 67 publications

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“…Apart from the proposed GLUT1-mediated action, our data does further not rule out alternative mechanisms including direct insulin-sensitizing effects, increased insulin-independent glucose uptake via GLUT4-PM redistribution or liver-mediated effects due reduced gluconeogenesis. A recent molecular docking study identified GE as potential glucokinase activator, which could additionally modulate hepatic glucose metabolism as suggested from our clamp experiment (Khan et al, 2022).…”

Section: Discussionsupporting

confidence: 54%

Genkwanin glycosides from the Phaleria nisidai extract improve glucose homeostasis by stimulating insulin-independent glucose uptake.

Horváth

Houriet

Moser

et al. 2022

Preprint

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Natural remedies are used as stand-alone treatments or as additives to modern medicine to control hyperglycemia. Here, we investigate the antidiabetic potential of the Palauan traditional leaf decoction of Phaleria nisidai (PNe) using a reverse pharmacology approach. In diet induced obese mice, dietary supplementation with PNe improves insulin sensitivity and promotes glucose uptake into adipose depots. In vitro, PNe triggers insulin-independent glucose disposal into murine and human adipocytes by upregulating Glut1 expression via PKC-ERK1/2 signaling. To identify PNe active principle(s), bioactivity-guided fractionations were performed. We decipher the genkwanin flavone glycosides as active principles found in PNe and demonstrate that the aglycone genkwanin (GE) improves insulin resistance to a comparable extent to metformin. We present GE as promising glucoregulatory phytochemical, which stimulates baseline glucose uptake into metabolically active adipocytes, thus dampening systemic glucose load and restoring insulin sensitivity.

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Section: Discussionsupporting

confidence: 54%

Genkwanin glycosides from the Phaleria nisidai extract improve glucose homeostasis by stimulating insulin-independent glucose uptake.

Horváth

Houriet

Moser

et al. 2022

Preprint

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“…Pharmacokinetic characteristics are critical to drug development because they enable scientists to investigate the biological impacts of possible pharmacological candidates (23). This compound's oral bioavailability was evaluated using Lipinski's rule of five and Veber's rules (Table 2).…”

Section: Resultsmentioning

confidence: 99%

“…Fortunately, the Lipinski rule of 5 had not been compromised by the compounds (23,24). All the compounds except sm4, sm5, sm6, sm7, sm16, sm20 violated the Lipinski rule of 5 .The total polar surface area (TPSA) and the number of rotatable bonds have been found to better discriminate between compounds that are orally active or not.…”

Section: Resultsmentioning

confidence: 99%

“…A lot of in silico models are hence developed for prediction of chemical ADMET properties. However, it is still not easy to evaluate the drug-likeness of compounds in terms of so many ADMET properties (21)(22)(23)(24)(25)(26)(27)(28). In the present work we have performed in silico ADMET screening of designed derivatives to be developed as potential EGFR inhibitors for the treatment of cancer.…”

Section: Introductionmentioning

confidence: 99%

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In silico ADMET screening & molecular docking of some 1-(5-(4-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl) ethanone derivatives to be developed as triple mutant T790M/C797S EGFR inhibitors

Magar

Pawar

2022

ijhs

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EGFRs' high expression and/or adaptive activation coincides with the pathogenesis and development of many tumors, making them appealing candidates for both diagnosis and therapy. Several strategies for targeting these receptors and/or the EGFR-mediated effects in cancer cells have been established. A lot of in silico models are developed for prediction of chemical ADMET properties. However, it is still not easy to evaluate the drug-likeness of compounds in terms of so many ADMET properties. In present study, we have designed some 1-(5-(4-chlorophenyl)-1, 3, 4-oxadiazol-3(2H)-yl) ethanone derivatives to be developed as potential EGFR inhibitors for the treatment of cancer. The designed derivatives were screened through Lipinski rule, Veber’s rule, ADMET analysis, drug-likeness properties and molecular docking. We concluded that all the compounds sm1, sm2, sm3, sm8, sm9, sm10, sm11, sm12, sm13, sm14, sm15, sm18, and sm19 were found to possess drug-likeness properties and therefore were subjected for molecular docking studies. From molecular docking studies it was observed that Molecules Sm3, Sm8, Sm9, Sm10, Sm12, and Sm2 had formed either three or two conventional hydrogen bonds with EGFR enzyme and hence selected for synthesis which can be developed further to get more promising molecules for the treatment of cancer.

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“…Diabetes mellitus may be well managed with normal allopathic treatment, but the results can be restricted. Because of their efficiency in decreasing blood glucose levels and minimal side effects, alternative medicines for diabetes have recently become more popular [ 11 , 14 – 17 ]. Alkaloids, flavonoids, and saponins in the plants were responsible for the anticipated therapeutic effect in diabetes mellitus.…”

Section: Introductionmentioning

confidence: 99%

In Vitro Alpha-Amylase Enzyme Assay of Hydroalcoholic Polyherbal Extract: Proof of Concept for the Development of Polyherbal Teabag Formulation for the Treatment of Diabetes

Quazi¹,

Patwekar

et al. 2022

Evidence-Based Complementary and Alternative Medicine

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For the treatment and maintenance of postprandial blood glucose increases (i.e., diabetes mellitus), alpha (α)-amylase is a well-known therapeutic target. In this paper, we report an initial exploration of the work, i.e., in vitro alpha-amylase activity of the hydroalcoholic polyherbal extract of the selected plants. After drying, the plant material is ground individually, and at least 100 gm of the crude powder is prepared from each plant. 100 gm of each plant was combined, and a total of 500 gm of the crude powder (Ichnocarpus frutescens (100 gm) + Ficus dalhousie (100 gm) + Crateva magna (100 gm) + Alpinia galangal (100 gm) + Swertia chirata (100 gm)) was prepared to carry out the extraction. This obtained extract was subjected to preliminary phytochemical screening and in vitro alpha-amylase activity. At 16 mg/mL, acarbose displayed 78.40 ± 0.36% inhibition, whereas the extract exhibited 72.96 ± 0.70% inhibition, which is significantly comparable. The IC50 value of acarbose was 12.9 ± 1.12, whereas the extract exhibited 13.31 ± 1.12 mg/mL. The extract possesses numerous classes of chemicals such as alkaloids, glycosides, tannins, polyphenols, and terpenoids, which can contribute to the antidiabetic activity through alpha-amylase inhibition. This was an initial exploration of the work as a proof of concept for the development of polyherbal tea bag formulation for the treatment of diabetes. In the future, we are aiming to investigate the effectiveness of polyherbal tea bags in the treatment of diabetes using more in vitro and in vivo models. From the present investigation, we have concluded that this extract can be used for the treatment of diabetes.

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Investigation of phytoconstituents of Enicostemma littorale as potential glucokinase activators through molecular docking for the treatment of type 2 diabetes mellitus

Cited by 23 publications

References 67 publications

Genkwanin glycosides from the Phaleria nisidai extract improve glucose homeostasis by stimulating insulin-independent glucose uptake.

Genkwanin glycosides from the Phaleria nisidai extract improve glucose homeostasis by stimulating insulin-independent glucose uptake.

In silico ADMET screening & molecular docking of some 1-(5-(4-chlorophenyl)-1,3,4-oxadiazol-3(2H)-yl) ethanone derivatives to be developed as triple mutant T790M/C797S EGFR inhibitors

In Vitro Alpha-Amylase Enzyme Assay of Hydroalcoholic Polyherbal Extract: Proof of Concept for the Development of Polyherbal Teabag Formulation for the Treatment of Diabetes

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