Discovery of potential cholesterol esterase inhibitors using &lt;i&gt;in silico&lt;/i&gt; docking studies

Sivashanmugam, Thirumalaisamy; Muthukrishnan, Soundararajan; Umamaheswari, Muthuswamy; Asokkumar, Kuppusamy; Subhadradevi, Varadharajan; Jagannath, Puliyath; Madeswaran, Arumugam

doi:10.3329/bjp.v8i3.14521

Cited by 13 publications

(4 citation statements)

References 22 publications

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“…It is probably because of its higher polyphenol compounds, which has been demonstrated to possess an ability to bind to the active protein pocket of the enzyme [4,24]. Various assays also revealed that many plant polyphenols and flavonoids possess in vitro inhibitory activities of cholesterol esterase [25] and carbohydrate hydrolyzing enzymes [26,27].…”

Section: In Vitro α-Amylase and α-Glucosidase Inhibitory Activitymentioning

confidence: 99%

In Vitro Studies to Assess the Antidiabetic Potential of Schleichera Oleosa (Lour) Oken Leaves

Muthukrishnan

Sivakkumar

2017

Asian J Pharm Clin Res

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Objective: The aim of this research is to establish the antidiabetic properties of sequential extracts of Schleichera oleosa (lour) Oken leaves thru α-amylase and α-glucosidase inhibitory assay.Methods: The extracts of S. oleosa (Lour) Oken were prepared by continuous hot percolating the dried powder of the plant leaves. The various solvents were used for the extraction and qualitative assay for the phytochemical test using standard protocols. Different concentration (1, 2, 4, 6, 12, 25, and 50 mg/ml) of sequential extracts of S. oleosa leaves were used to assess the in vitro α-amylase and α-glucosidase inhibitory assay by Bernfeld and Apostolidis method.Results: In the α-amylase assay, the ethanolic extract produced 52.76% inhibition at 4 mg/ml concentration, but in ethyl acetate and aqueous extracts case 50% inhibition attained only at the concentration of 50 mg/ml, and acarbose 0.9 mg/ml was found 89.24% inhibition. In the α-glucosidase assay, the all extracts show the decent inhibitory effect in 50 mg/ml. The ethanolic and aqueous extracts exhibited a higher inhibitory effect 72.64% and 59.44% than other extracts at the concentration of 50 mg/ml, respectively, while acarbose 0.9 mg/ml was producing 86.24% inhibition. This result indicates that the inhibition of ethanolic and aqueous extracts on the activity from α-amylase and α-glucosidases is much more potent than that of other extracts.Conclusion: This study revealed that ethanolic and aqueous extracts showed the high content of polyphenols and flavonoids, which was blamed for the α-amylase and α-glucosidases inhibition. Hence, it deserved to elucidate specific components and to evaluate the antidiabetic effect using in vivo animal model.

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Section: In Vitro α-Amylase and α-Glucosidase Inhibitory Activitymentioning

confidence: 99%

In Vitro Studies to Assess the Antidiabetic Potential of Schleichera Oleosa (Lour) Oken Leaves

Muthukrishnan

Sivakkumar

2017

Asian J Pharm Clin Res

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“…Few reports have revealed the inhibitory property of gallic acid, mangiferin, catechin, epicatechin, procyanidins, and saponins from herbal extracts against CEase (30)(31)(32). The in silico docking studies on a few flavonoids such as apigenin, curcumin, glycitein, okanin, and rhamnazin also documented the presence of potent CEase inhibitory sites, especially the interaction with the catalytic triad and oxyanion hole residues (33). We assume that an approximately similar mechanism may be adopted by phenolic acids.…”

Section: Resultsmentioning

confidence: 61%

In Vitro Cholesterol Esterase Inhibitory Activity of Some Purified Phenolic Acids From Agaricus bisporus: An Investigation of Cardioprotective Properties

Sathishkumar¹,

Suriyakala²,

Lakshmanabharathy³

et al. 2020

Jundishapur J Nat Pharm Prod

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Background: Mushrooms with significant traditional medicine properties are rich sources of vitamins, proteins, fibres, minerals, and polyphenolic compounds. Objectives: Agaricus bisporus (edible white button mushroom) extracts and their purified polyphenolic content were examined in terms of cholesterol esterase (CEase) inhibitory activity. Methods: Organic solvent-based extraction methodologies were adopted to prepared the extracts. Two dimensional preparative thin layer chromatography (2D PTLC) technique and direct MS/ESI + method were also used to purify and elucidate the polyphenolic structures. Standard spectrophotometric analyses were employed to determine the flavonoid and phenolic acid contents as well as CEase inhibitory activity in both extract and purified polyphenols. Results:The findings supported the strong cholesterol esterase inhibitory activity of aqueous and methanolic extracts (separating funnel: 97.9 ± 1.1% and 97 ± 0.8%), and acetone extract (shake flask: 97.6 ± 0.2%). The investigation also documented the remarkable quantity of flavonoid (32.61 ± 4.1 mg/g tissue) and phenolic acid (12.38 ± 1.32 mg/g tissue). A fraction of strong blue colour phenolic acid was purified using 2D PTLC technique, and the direct MS/ESI + method adopted for the purified eluate also revealed the presence of p-hydroxy benzoic acid (m/z 136), ferulic acid (m/z 194), cinnamic acid (m/z 146), and protocatechuic acid (m/z 154). The purified phenolic acids represent a moderate cholesterol esterase inhibitory activity (24.7 ± 1.7%; IC50 = 2.61 µg). Conclusions:The study revealed the remarkable CEase inhibitory property, implying the cardioprotective attribute of A. bisporus.

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“…A study deals with the evaluation of the cholesterol esterase inhibitory activity of biochanin-A using in silico docking approach. Biochanin-A contributed cholesterol esterase inhibitory activity, these molecular docking analyses could lead to the further development of potent cholesterol esterase inhibitors for the treatment of obesity (Sivashanmugam et al, 2013).…”

Section: Obesitymentioning

confidence: 99%

Mechanisms behind the pharmacological application of biochanin-A: a review

et al. 2023

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This review was aimed at summarizing the cellular and molecular mechanisms behind the various pharmacological actions of biochanin-A. Many studies have been reported claiming its application in cancers, metabolic disorders, airway hyperresponsiveness, cardiac disorders, neurological disorders, etc. With regard to hormone-dependent cancers like breast, prostate, and other malignancies like pancreatic, colon, lung, osteosarcoma, glioma that has limited treatment options, biochanin-A revealed agreeable results in arresting cancer development. Biochanin-A has also shown therapeutic benefits when administered for neurological disorders, diabetes, hyperlipidaemia, and other chronic diseases/disorders. Isoflavones are considered phenomenal due to their high efficiency in modifying the physiological functions of the human body. Biochanin-A is one among the prominent isoflavones found in soy (glycine max), red clover (Trifolium pratense), and alfalfa sprouts, etc., with proven potency in modulating vital cellular mechanisms in various diseases. It has been popular for ages among menopausal women in controlling symptoms. In view of the multi-targeted functions of biochanin-A, it is essential to summarize it's mechanism of action in various disorders. The safety and efficacy of biochanin-A need to be established in clinical trials involving human subjects. Biochanin-A might be able to modify various systems of the human body like the cardiovascular system, CNS, respiratory system, etc. It has shown a remarkable effect on hormonal cancers and other cancers. Many types of research on biochanin-A, particularly in breast, lung, colon, prostate, and pancreatic cancers, have shown a positive impact. Through modulating oxidative stress, SIRT-1 expression, PPAR gamma receptors, and other multiple mechanisms biochanin-A produces anti-diabetic action. The diverse molecular mechanistic pathways involved in the pharmacological ability of biochanin-A indicate that it is a very promising molecule and can play a major impact in modifying several physiological functions.

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Discovery of potential cholesterol esterase inhibitors using <i>in silico</i> docking studies

Cited by 13 publications

References 22 publications

In Vitro Studies to Assess the Antidiabetic Potential of Schleichera Oleosa (Lour) Oken Leaves

In Vitro Studies to Assess the Antidiabetic Potential of Schleichera Oleosa (Lour) Oken Leaves

In Vitro Cholesterol Esterase Inhibitory Activity of Some Purified Phenolic Acids From Agaricus bisporus: An Investigation of Cardioprotective Properties

Mechanisms behind the pharmacological application of biochanin-A: a review

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