Calotropis procera: UHPLC-QTOF-MS/MS based profiling of bioactives, antioxidant and anti-diabetic potential of leaf extracts and an insight into molecular docking

Nadeem, Muhammad; Mumtaz, M.; Danish, Muhammad; Rashid, Umer; Mukhtar, Hamid; Anwar, Farooq; Raza, Syed Ali

doi:10.1007/s11694-019-00243-z

Cited by 32 publications

(36 citation statements)

References 61 publications

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“…Our research group has already explored the synergistic effects of constituents of different plant extracts against α-glucosidase via docking simulations (Nadeem et al, 2019(Nadeem et al, , 2020aFarooq et al, 2020). Hence, we also performed docking simulations in order to correlate the in-vitro results and to explore the possible role of putative bioactive compounds identified in the chloroform fraction of Eryngium caeruleum.…”

Section: Results Of Docking Studiesmentioning

confidence: 99%

“…Tocopherol, phytol, thymol, Falcarinol and linolenic acid form hydrogen bond interactions with the residues present in the catalytic triad (Asp214, Glu276, and Asp349). A number of active constituents' form π-π stacking with key amino acid residues; Phe157, Phe177, Phe300 (Table 8) (Nadeem et al, 2019(Nadeem et al, , 2020aFarooq et al, 2020). Tocopherol has shown the most stable ligand-enzyme complex with the binding energy −7.7008 kcal/mol.…”

Section: Results Of Docking Studiesmentioning

confidence: 99%

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Treating Hyperglycemia From Eryngium caeruleum M. Bieb: In-vitro α-Glucosidase, Antioxidant, in-vivo Antidiabetic and Molecular Docking-Based Approaches

et al. 2020

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Natural-based drugs are believed to be safe, effective and economical. Based on the medicinal importance of the genus Eryngium and unexplored nature of Eryngium caeruleum, we have evaluated its antidiabetic and antioxidant potentials. Both in-vitro and in-vivo assays have been carried out for antidiabetic assays. The antioxidant activity was determined by using different free radicals [i.e., 1,1-diphenyl,2-picrylhydrazyl (DPPH), 2,2-azinobis[3-ethylbenzthiazoline]-6-sulfonic acid (ABTS), and hydrogen peroxide (H2O2)]. Moreover, different phytoconstituents were identified in the most active solvent fraction by GC-MS analysis. Furthermore, comparative fingerprints of methanolic extract and chloroform fraction were also analyzed via High Performance Liquid Chromatography coupled with Diode Array Detector (HPLC-DAD). The crude methanolic extract of E. caeruleum (Ec.Cr) and its sub-fractions [i.e., n-hexane (Ec.Hex), chloroform (Ec.Chf), ethyl acetate (Ec.EtAc), and aqueous (Ec.Aq) were employed in this study]. In the α-glucosidase inhibition assay, a concentration-dependent inhibitory response was observed against the enzyme. The most active sample was Ec.Chf which revealed an IC50 of 437 μg/ml in comparison to the standard acarbose (IC50 25 μg/ml). The rest of the samples showed moderate inhibition of α-glucosidase. In antioxidant assays, Ec.Chf and Ec.Cr exhibited a considerable scavenging effect against all the free radicals. The IC50 values recorded for Ec.Chf were 112, 109, and 150 μg/ml against DPPH, ABTS, and H2O2 respectively. Based on the in-vitro potential of Ec.Chf, this was subjected to the in-vivo model experiment. The Ec.Chf lowered the blood glucose level up to 10.3 mmol/L at 500 μg/Kg. The Ec.Chf was also subjected to GC-MS analysis. The GC-MS analysis confirmed the presence of 60 compounds. The identified phytoconstituents consist of some essential compounds previously reported with antidiabetic and antioxidant studies, which include thymol, tocopherol, phytol, nerolidol, (I)-neophytadiene, linolenic acid, and falcarinol. Similarly, the HPLC-DAD chromatograms of Ec.Cr and Ec.Chf exhibited a variety of peaks, which further demonstrates the possibility of important phytochemicals. In a nutshell, we can conclude that Eryngium caeruleum is a potential source of bioactive compounds which may be beneficial for the management of ailments like diabetes and free radicals mediated disorders. Molecular docking was performed to explore the possible role of all the identified bioactive compounds in the chloroform fraction of Eryngium caeruleum into active sites of the homology model of α-glucosidase.

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Section: Results Of Docking Studiesmentioning

confidence: 99%

Section: Results Of Docking Studiesmentioning

confidence: 99%

Treating Hyperglycemia From Eryngium caeruleum M. Bieb: In-vitro α-Glucosidase, Antioxidant, in-vivo Antidiabetic and Molecular Docking-Based Approaches

et al. 2020

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“…The α ‐glucosidase and α ‐amylase are dietary enzymes that hydrolyze the carbohydrates to glucose. The inhibition of α ‐glucosidase and α ‐amylase was established as an effective instrument to delay carbohydrate digestion to reduce the postprandial BGL 10,30 . The decrease in α ‐glucosidase and α ‐amylase activity by the extracts was due to the presence of metabolites.…”

Section: Discussionmentioning

confidence: 99%

“…There might be some site‐specific bindings by the metabolites to the active sites of α ‐glucosidase and α ‐amylase that resulted in loss of enzyme activity. Some docking studies have already confirmed the structural interactions between plant metabolites and dietary enzymes at specific amino acid residues to block or reduce the protein activity 27,30 . The identification of secondary metabolites in the 60% ethanolic extract of C. circinalis was accomplished by UHPLC–QTOF‐MS/MS analysis.…”

Section: Discussionmentioning

confidence: 99%

“…The inhibition of ⊍-glucosidase wileyonlinelibrary.com/jsfa and ⊍-amylase was established as an effective instrument to delay carbohydrate digestion to reduce the postprandial BGL. 10,30 The decrease in ⊍-glucosidase and ⊍-amylase activity by the extracts was due to the presence of metabolites. The secondary metabolites have been reported for their various pharmacological roles, including the inhibition of dietary enzymes.…”

Section: Discussionmentioning

confidence: 99%

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Polyphenol fingerprinting and hypoglycemic attributes of optimized Cycas circinalis leaf extracts

et al. 2020

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BACKGROUND Cycas circinalis leaves are used to treat diabetes mellitus in local medicinal systems without any scientifically proved information on their medicinal potential and phytochemicals. In this study, the total phenolic contents, total flavonoid contents, and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) scavenging and inhibitory effects on α‐glucosidase and α‐amylase were determined for optimized hydroethanolic leaf extracts. Secondary metabolites were identified using ultra‐high‐performance liquid chromatography–quadrupole time‐of‐flight mass spectrometry (UHPLC–QTOF‐MS/MS). In vivo studies on diabetic albino mice were also carried out to evaluate the impact of the most active extract on their blood glucose levels. RESULTS The 60% ethanolic extract showed the highest extract yield (209.70 ± 0.20 g kg−1) and total phenolic (154.24 ± 3.28 mg gallic acid equivalent) and flavonoid (78.52 ± 1.65 mg rutin equivalent per gram dried extract) contents and exhibited the maximum DPPH scavenging activity (IC50 = 59.68 ± 2.82 μg mL−1). The IC50 values for inhibition of α‐glucosidase (58.42 ± 2.22 μg mL−1) and α‐amylase (74.11 ± 1.70 μg mL−1) were also significant for the 60% ethanolic extract. The untargeted UHPLC–QTOF‐MS/MS‐based metabolite profiling confirmed the presence of iridoid glucoside, gibberellin A4, O‐β‐d‐glucosyl‐4‐hydroxy‐cinnamate, 3‐methoxy‐2‐phyenyl‐4H‐furo[2,3‐h]chromen‐4‐one, kaempferol, withaferin A, amentoflavone, quercitin‐3‐O‐(6″‐malonyl glucoside), ellagic acid, and gallic acid. Plant extract at a dose of 500 mg kg−1 body weight reduced the blood glucose level by a considerable extent and also improved the lipid profile of diabetic mice after a 28‐day trial. CONCLUSION The findings revealed the medicinal potential of C. circinalis leaves to treat diabetes mellitus and provided the nutraceutical leads for functional food development. © 2020 Society of Chemical Industry

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Calotropis procera (leaves) supplementation exerts curative effects on promoting functional recovery in a mouse model of peripheral nerve injury

Zafar

Rasul

Iqbal

et al. 2021

Food Science & Nutrition

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Calotropis procera: UHPLC-QTOF-MS/MS based profiling of bioactives, antioxidant and anti-diabetic potential of leaf extracts and an insight into molecular docking

Cited by 32 publications

References 61 publications

Treating Hyperglycemia From Eryngium caeruleum M. Bieb: In-vitro α-Glucosidase, Antioxidant, in-vivo Antidiabetic and Molecular Docking-Based Approaches

Treating Hyperglycemia From Eryngium caeruleum M. Bieb: In-vitro α-Glucosidase, Antioxidant, in-vivo Antidiabetic and Molecular Docking-Based Approaches

Polyphenol fingerprinting and hypoglycemic attributes of optimized Cycas circinalis leaf extracts

Calotropis procera (leaves) supplementation exerts curative effects on promoting functional recovery in a mouse model of peripheral nerve injury

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