Self-organizing maps and VolSurf approach to predict aldose reductase inhibition by flavonoid compounds

Scotti, Luciana; Fernandes, Mariane B.; Muramatsu, Eric; Pasqualoto, Kerly Fernanda Mesquita; Emereciano, Vicente; Tavares, Leoberto Costa; Silva, Marcelo Sobral da

doi:10.1590/s0102-695x2011005000028

Cited by 15 publications

(7 citation statements)

References 36 publications

(46 reference statements)

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“…Under diabetic condition, excessive influx of glucose into the tissues results in the increased aldose reductase activity, and thereby increased levels of polyol [ 27 ]. Furthermore, evidences suggest that aldose reductase plays pivotal role in the pathogenesis of diabetic complications such as neuropathy, nephropathy, cataract, retinopathy, and microangiopathy [ 28 ]. Available preclinical and preliminary clinical evidence suggests that inhibition of aldose reductase enzyme activity may be useful in the prevention of onset of diabetic complications [ 28 ].…”

Section: Discussionmentioning

confidence: 99%

“…Furthermore, evidences suggest that aldose reductase plays pivotal role in the pathogenesis of diabetic complications such as neuropathy, nephropathy, cataract, retinopathy, and microangiopathy [ 28 ]. Available preclinical and preliminary clinical evidence suggests that inhibition of aldose reductase enzyme activity may be useful in the prevention of onset of diabetic complications [ 28 ]. In present study, the MEPG and VAD have showed significant and dose-dependent inhibition of aldose reductase enzyme activity with IC 50 values of 2.050 and 0.788 μ g/mL, respectively.…”

Section: Discussionmentioning

confidence: 99%

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Isolation of Antidiabetic Principle from Fruit Rinds ofPunica granatum

Jain

Viswanatha

Manohar

et al. 2012

Evidence-Based Complementary and Alternative Medicine

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Present study was aimed to isolate and evaluate the antidiabetic activity of phytoconstituents from fruit rinds of Punica granatum. With the above objectives Valoneic acid dilactone (VAD) was isolated from methanolic fruit rind extracts of Punica granatum (MEPG) and confirmed by 1H-NMR, 13C-NMR, and mass spectral data. Antidiabetic activity was evaluated by Aldose reductase, α-amylase and PTP1B inhibition assays in in vitro and Alloxan-induced diabetes in rats was used as an in vivo model. In bioactivity studies, MEPG and VAD have showed potent antidiabetic activity in α-amylase, aldose reductase, and PTP1B inhibition assays with IC50 values of 1.02, 2.050, 26.25 μg/mL and 0.284, 0.788, 12.41 μg/mL, respectively. Furthermore, in alloxan-induced diabetes model MEPG (200 and 400 mg/kg, p.o.) and VAD (10, 25, and 50 mg/kg, p.o.) have showed significant and dose dependent antidiabetic activity by maintaining the blood glucose levels within the normal limits. Inline with the biochemical findings histopathology of MEPG (200 and 400 mg/kg, p.o.), VAD (10, 25, and 50 mg/kg, p.o.), and glibenclamide (10 mg/kg, p.o.) treated animals showed significant protection against alloxan-induced pancreatic tissue damage. These findings suggest that MEPG and VAD possess significant antidiabetic activity in both in vitro and in vivo models.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Isolation of Antidiabetic Principle from Fruit Rinds ofPunica granatum

Jain

Viswanatha

Manohar

et al. 2012

Evidence-Based Complementary and Alternative Medicine

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“…Retinopathy, neuropathy, corneal epitheliopathy and microangiopathy are well-known complications of diabetes mellitus. These complications have been prevented through the inhibition of aldose reductase (Reddy et al 2008;Scotti et al 2011). Our present study on the Pterocarpus marsupium bark extracts showed a significant reduction in aldose reductase activity in the lens of diabetic rats.…”

Section: Discussionmentioning

confidence: 99%

Protective effect of Pterocarpus marsupium bark extracts against cataract through the inhibition of aldose reductase activity in streptozotocin-induced diabetic male albino rats

Zhao

Sui

et al. 2018

3 Biotech

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The present study was aimed to investigate the protective effect of bark extracts against cataract in streptozotocin-induced diabetic male albino rats. Aldose reductase is a key enzyme in the intracellular polyol pathway, which plays a major role in the development of diabetic cataract. Rats were divided into five groups as normal control, diabetic control, and diabetic control treated with different concentrations of bark extracts. Presence of major constituents in bark extract was performed by qualitative analysis. Body weight changes, blood glucose, blood insulin, and reduced glutathione (GSH) and aldose reductase mRNA and protein expression were determined. Rat body weight gain was noted following treatment with bark extracts. The blood glucose was reduced up to 36% following treatment with bark extracts. The blood insulin and tissue GSH contents were substantially increased more than 100% in diabetic rats following treatment with extracts. Aldose reductase activity was reduced up to 79.3% in diabetic rats following treatment with extracts., , and of aldose reductase were reduced in the lens tissue homogenate compared to the diabetic control. Aldose reductase mRNA and protein expression were reduced more than 50% following treatment with extracts. Treatment with bark was able to normalize these levels. Taking all these data together, it is concluded that the use of bark extracts could be the potential therapeutic approach for the reduction of aldose reductase against diabetic cataract.

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“…The inhibitory activity ABCG2/BCRP was investigated by VolSurf descriptors [49][50][51] of MIFs. To this end, a library of 34 flavonoids and flavonoid derivatives including flavones, benzopyranes, benzofuranes, boeravinones and acridones were biologically assayed.…”

Section: Mifmentioning

confidence: 99%

SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review

Scotti

Mendonça²,

Moreira³

et al. 2013

CTMC

Self Cite

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Flavonoids are phenolic compounds, secondary metabolites of plants that cause several benefits to our health, including helping the treatment against cancer. These pharmacological properties are associated with the ability of flavonoids in attenuating the generation of reactive oxygen species, acting as chelate compounds or affecting the oxi-redox cycle. In spite of the large number of information in term of SAR and QSAR, no recent review has tabulated and discussed in detail these data. In view of this, we bring here a detailed discussion of the structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) models. We have also analyzed the correlation between the chemical structure of flavonoids and analogues to their anticancer activities. A large number of methodologies have been used to identify the characteristics of these compounds with their potential anticancer: multiple linear regression, principal components analysis, comparative molecular field analysis, comparative molecular similarity indices analysis, partial least squares, neural networks, configuration of classification and regression trees, Free-Wilson, docking; using topological, structural and enthalpies' descriptors. We also discussed the use of docking models, together with QSAR models, for the virtual screening of anticancer flavonoids. The importance of docking models to the medicinal chemistry of anticancer flavonoids has increased in the last decade, especially to help in identifying the structural determinants responsible for the activity. We tabulated here the most important examples of virtual screening determined for anticancer flavonoids and we highlighted the structural determinants. The mode of action, the most potent anticancer flavonoids and hints for the structural design of anticancer flavonoids are revised in details and provided here.

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Self-organizing maps and VolSurf approach to predict aldose reductase inhibition by flavonoid compounds

Cited by 15 publications

References 36 publications

Isolation of Antidiabetic Principle from Fruit Rinds ofPunica granatum

Isolation of Antidiabetic Principle from Fruit Rinds ofPunica granatum

Protective effect of Pterocarpus marsupium bark extracts against cataract through the inhibition of aldose reductase activity in streptozotocin-induced diabetic male albino rats

SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review

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