Beneficial protective effects of 2-allyl amino 4-methyl sulfanyl butyric acid on glucose metabolism and glycoprotein components in streptozotocin induced diabetic rats with molecular modeling

Balan, Kannan; Pratheebaa, P.; Jebastin, T.; Sundarabaalaji, N.; Li, Xiuhua; Palvannan, Thayumanavan

doi:10.1039/c5tx00237k

Cited by 5 publications

(4 citation statements)

References 38 publications

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“…Protein preparation and ligand preparation have been performed for this analysis by using YASARA software, 35 which includes water removal, binding site identification, simulation box generation and energy minimization. 38 Molecular docking analysis demonstrates the best binding conformations between the receptor and ligand with the best binding energy which can be calculated using the following equation: 27…”

Section: Molecular Dockingmentioning

confidence: 99%

“…Steroidogenesis is a complex multi-enzyme process by which cholesterol is converted to biologically active steroid hor- 38,[49][50][51][52] by the formation of reactive oxygen species. [14][15][16] The oral administration of BPA for 45 days (groups III-V) caused a significant ( p < 0.05), dose-dependent decrease in total lipid (r = 0.722) and cholesterol contents (r = 0.971) as compared to the vehicle control group II.…”

Section: Biochemical Analysismentioning

confidence: 99%

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The effect of bisphenol A on testicular steroidogenesis and its amelioration by quercetin: anin vivoandin silicoapproach

et al. 2018

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Bisphenol A (BPA), a phenyl ring containing synthetic xenoestrogen, is widely used in the manufacture of polycarbonate plastics, epoxy resins and as a non-polymer additive to other plastics. Food is considered as the main source of exposure to BPA as it leaches out from food containers as well as surface coatings. It causes toxicity in the liver, kidney, brain, and other organs by initiating the process of lipid peroxidation. The present investigation was an attempt to evaluate the effect of BPA on steroidogenesis and its amelioration by quercetin. Inbred Swiss strain male albino mice were orally administered with 80, 120 and 240 mg per kg body weight per day of BPA for 45 days. The results revealed that BPA causes significant ( < 0.05) and dose-dependent changes in the body weight and biochemical parameters like protein, cholesterol and lipid contents as well as activities of 3β-and 17β-hydroxysteroid dehydrogenases in the testis of mice. It was also found to significantly reduce the testosterone level in serum. Oral administration of quercetin (30, 60 and 90 mg per kg body weight per day) along with a high dose of BPA (240 mg per kg body weight per day) for 45 days caused significant amelioration in the body weight and steroidogenesis as compared to the BPA alone treated group. The effect was dose-dependent. This amelioration in BPA-induced toxicity might be due to the antioxidative properties of quercetin. The reduction in the function of enzymes was confirmed by bindings. BPA and quercetin show competitive binding with steroidogenic enzymes as well as binding with each other. This could be a possible mechanism to reduce the toxic effect of BPA which has been supported by molecular dynamics simulations for molecular level recognition with structural insights.

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Section: Molecular Dockingmentioning

confidence: 99%

Section: Biochemical Analysismentioning

confidence: 99%

The effect of bisphenol A on testicular steroidogenesis and its amelioration by quercetin: anin vivoandin silicoapproach

et al. 2018

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“…glycohybrid structures and their α-glucosidase inhibition potential were examined [27]. In addition, Balan et al (2015) [28] reported that they synthesized 2-allyl amino 4-methylsulfanyl butyric acid as a new molecule for inhibition of alpha amylase and α-glucosidase, and they carried out both molecular modeling studies and enzyme kinetic studies to evaluate the inhibition potential of the said molecule. In a previous study, molecular modeling revealed the molecular basis of the specific binding of different alpha amylase inhibitors obtained from the seeds of Phaseolus vulgaris and Alpina nigra to the active site of the enzyme [29][30][31].…”

Section: P R E P R I N Tmentioning

confidence: 99%

Cytotoxicity and anti-small cell lung cancer potential of 3-methoxy-5-nitrosalicylaldehyde: an analog for treatment of diabetes mellitus with considerable binding affinity to α-amylase enzyme

2021

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IntroductionAlpha-amylase inhibitors are present in plants and are thought to be produced by plants to strengthen their defenses against predators. It contains plant components, polyphenolic compounds and glycoproteins with enzymatic inhibitory activity.Material and methodsThe molecular docking investigation was accomplished as a versatile method for the evaluation of the biological activities of 3-Methoxy-5-nitrosalicylaldehyde in the presence of alpha amylase. MTT test was used on normal (HUVEC) and small cell lung cancer (SBC-3, DMS273, and DMS114) cell lines.ResultsIn this study, inhibition result of metabolic enzyme was obtained IC50: 95.14 µM. The compound exhibited a considerable binding affinity to the enzyme with a docking score of -7.676 kcal/mol. The results of the molecular docking revealed that 3-Methoxy-5-nitrosalicylaldehyde is able to construct hydrophobic contacts with crucial residues of the catalytic domain of the enzyme. According to these findings, the compound has the potential to be an inhibitor for alpha amylase. 3-Methoxy-5-Nitrosalicylaldehyde had high cell death and anti-small cell lung cancer effects against SBC-3, DMS273, and DMS114 cell lines. Among the above cell lines, the best result of anti-small cell lung cancer properties of molecule was gained in the cell line of DMS273.ConclusionsThe results of this study indicated the excellent anti-small cell lung cancer potentials of 3-Methoxy-5-Nitrosalicylaldehyde in the in vitro condition. After confirming the above results in the clinical trial researches, this formulation may be administrated for the treatment of several types of small cell lung cancer in humans.

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“…In a study, molecular modeling was used for investigating the modes of 2-allyl amino 4-methyl sulfanyl butyric acid interaction with active sites of insulin receptor. It was found that administration of 2-allyl amino 4-methyl sulfanyl butyric acid (170 mg kg −1 ) significantly decreased the glycoprotein levels of plasma, liver, and kidney whereas levels of plasma insulin, hexokinase, glycogen and glycogen synthase were potently increased [227].…”

Section: -Allyl Amino 4-methyl Sulfanyl Butyric Acidmentioning

confidence: 99%

Targeting Glycoproteins as a therapeutic strategy for diabetes mellitus and its complications

et al. 2020

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Objectives Glycoproteins are organic compounds formed from proteins and carbohydrates, which are found in many parts of the living systems including the cell membranes. Furthermore, impaired metabolism of glycoprotein components plays the main role in the pathogenesis of diabetes mellitus. The aim of this study is to investigate the influence of glycoprotein levels in the treatment of diabetes mellitus. Methods All relevant papers in the English language were compiled by searching electronic databases, including Scopus, PubMed and Cochrane library. The keywords of glycoprotein, diabetes mellitus, glycan, glycosylation, and inhibitor were searched until January 2019. Results Glycoproteins are pivotal elements in the regulation of cell proliferation, growth, maturation and signaling pathways. Moreover, they are involved in drug binding, drug transportation, efflux of chemicals and stability of therapeutic proteins. These functions, structure, composition, linkages, biosynthesis, significance and biological effects are discussed as related to their use as a therapeutic strategy for the treatment of diabetes mellitus and its complications. Conclusions The findings revealed several chemical and natural compounds have significant beneficial effects on glycoprotein metabolism. The comprehension of glycoprotein structure and functions are very essential and inevitable to enhance the knowledge of glycoengineering for glycoprotein-based therapeutics as may be required for the treatment of diabetes mellitus and its associated complications.

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Beneficial protective effects of 2-allyl amino 4-methyl sulfanyl butyric acid on glucose metabolism and glycoprotein components in streptozotocin induced diabetic rats with molecular modeling

Cited by 5 publications

References 38 publications

The effect of bisphenol A on testicular steroidogenesis and its amelioration by quercetin: anin vivoandin silicoapproach

The effect of bisphenol A on testicular steroidogenesis and its amelioration by quercetin: anin vivoandin silicoapproach

Cytotoxicity and anti-small cell lung cancer potential of 3-methoxy-5-nitrosalicylaldehyde: an analog for treatment of diabetes mellitus with considerable binding affinity to α-amylase enzyme

Targeting Glycoproteins as a therapeutic strategy for diabetes mellitus and its complications

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