Screening and characterization of aldose reductase inhibitors from Traditional Chinese medicine based on ultrafiltration-liquid chromatography mass spectrometry and in silico molecular docking

Zhang, Hui; Xu, Cong; Tian, Qinghua; Zhang, Ya; Zhang, Guimin; Guan, Yongxia; Tong, Shengqiang; Yan, Jizhong

doi:10.1016/j.jep.2020.113282

Cited by 20 publications

(14 citation statements)

References 34 publications

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“…The authors also identified several ginsenoside derivatives and tested them against aldose reductase using rabbit crystalline lenses. According to the authors’ reports, the ginsenoside derivatives demonstrated significant inhibitory activity against aldose reductase, which differs from our data slightly, because we used a different source of lenses (rat lenses) and Zhang et al [ 36 ] used rabbit crystalline lenses. The pure rat lens homogenate extract was used to test the AR activity of ginsenoside derivatives in the current study.…”

Section: Resultscontrasting

confidence: 93%

“…Recently, Zhang et al [ 36 ] reported that a traditional Chinese herbal extract (referred to as the Shenqi Jiangtang granule), which contains ginseng stem and leaf extract, demonstrated aldose reductase inhibitory activity. The authors also identified several ginsenoside derivatives and tested them against aldose reductase using rabbit crystalline lenses.…”

Section: Resultsmentioning

confidence: 99%

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Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study

et al. 2022

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This present work is designed to evaluate the anti-diabetic potential of 22 ginsenosides via the inhibition against rat lens aldose reductase (RLAR), and human recombinant aldose reductase (HRAR), using DL-glyceraldehyde as a substrate. Among the ginsenosides tested, ginsenoside Rh2, (20S) ginsenoside Rg3, (20R) ginsenoside Rg3, and ginsenoside Rh1 inhibited RLAR significantly, with IC50 values of 0.67, 1.25, 4.28, and 7.28 µM, respectively. Moreover, protopanaxadiol, protopanaxatriol, compound K, and ginsenoside Rh1 were potent inhibitors of HRAR, with IC50 values of 0.36, 1.43, 2.23, and 4.66 µM, respectively. The relationship of structure–activity exposed that the existence of hydroxyl groups, linkages, and their stereo-structure, as well as the sugar moieties of the ginsenoside skeleton, represented a significant role in the inhibition of HRAR and RLAR. Additional, various modes of ginsenoside inhibition and molecular docking simulation indicated negative binding energies. It was also indicated that it has a strong capacity and high affinity to bind the active sites of enzymes. Further, active ginsenosides suppressed sorbitol accumulation in rat lenses under high-glucose conditions, demonstrating their potential to prevent sorbitol accumulation ex vivo. The findings of the present study suggest the potential of ginsenoside derivatives for use in the development of therapeutic or preventive agents for diabetic complications.

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Section: Resultscontrasting

confidence: 93%

Section: Resultsmentioning

confidence: 99%

Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study

et al. 2022

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“… 2020 ; Zhang et al. 2021 ). QFXYW is derived from the classic formula “Maxing Shigan Decoction,” approved by the China Food and Drug Administration (NO.…”

Section: Discussionmentioning

confidence: 99%

Systematic identification of the interventional mechanism of Qingfei Xiaoyan Wan (QFXYW) in treatment of the cytokine storm in acute lung injury using transcriptomics-based system pharmacological analyses

Hou

Chen

et al. 2022

Pharmaceutical Biology

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Context Acute lung injury (ALI) is a complex, severe inflammation disease with high mortality, and there is no specific and effective treatment for ALI. Qingfei Xiaoyan Wan (QFXYW) has been widely used to treat lung-related diseases for centuries. Objective This study evaluates the potential effects and elucidates the therapeutic mechanism of QFXYW against LPS induced ALI in mice. Materials and methods BALB/c Mice in each group were first orally administered medicines (0.9% saline solution for the control group, 0.5 mg/kg Dexamethasone, or 1.3, 2.6, 5.2 g/kg QFXYW), after 4 h, the groups were injected LPS (1.0 mg/kg) to induce ALI, then the same medicines were administered repeatedly. The transcriptomics-based system pharmacological analyses were applied to screen the hub genes, RT-PCR, ELISA, and protein array assay was applied to verify the predicted hub genes and key pathways. Results QFXYW significantly decreased the number of leukocytes from (6.34 ± 0.51) × 10 5 /mL to (4.01 ± 0.11) × 10 5 /mL, accompanied by the neutrophil from (1.41 ± 0.19) × 10 5 /mL to (0.77 ± 0.10) × 10 5 /mL in bronchoalveolar lavage fluid (BALF). Based on Degree of node connection (Degree) and BottleNeck (BN), important parameters of network topology, the protein-protein interaction (PPI) network screened hub genes, including IL-6, TNF-α, CCL2, TLR2, CXCL1, and MMP-9. The results of RT-PCR, ELISA, and protein chip assay revealed that QFXYW could effectively inhibit ALI via multiple key targets and the cytokine-cytokine signalling pathway. Conclusions This study showed that QFXYW decreased the number of leukocytes and neutrophils by attenuating inflammatory response, which provides an important basis for the use of QFXYW in the treatment of ALI.

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“…Chemical reaction-based DPPH offline has been widely used to couple with HPLC [ 27 , 28 ] or even GC [ 68 ] for screening antioxidants, which also functioned well in this study, whereas AR-ligand binding affinity based ultrafiltration-HPLC has been less used [ 69 , 70 , 71 ]; however, no competitive experiments were carried out for those ultrafiltration-HPLC studies, which may lead to nonspecific binding of compounds with enzymes or centrifugal membrane, causing false positives [ 30 , 72 ]. The inactivation of AR by heating results in loss of its binding ability to AR inhibitors, which has been recently used to verify the screening result by comparing it with that obtained from the active AR group [ 73 ]. Nevertheless, the enzyme precipitates in the solution after heat deactivation in our test, thereby affecting the screening result by blocking the centrifugal membrane, as described previously [ 72 ].…”

Section: Discussionmentioning

confidence: 99%

Valeriana rigida Ruiz & Pav. Root Extract: A New Source of Caffeoylquinic Acids with Antioxidant and Aldose Reductase Inhibitory Activities

Zuo

Kim

Quispe

et al. 2021

Foods

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Valeriana rigida Ruiz & Pav. (V. rigida) has long been used as a herbal medicine in Peru; however, its phytochemicals and pharmacology need to be scientifically explored. In this study, we combined the offline 2,2-diphenyl-1-picryl-hydrazyl-hydrate (DPPH)-/ultrafiltration-high-performance liquid chromatography (HPLC) and high-speed counter-current chromatography (HSCCC)/pH-zone-refining counter-current chromatography (pH-zone-refining CCC) to screen and separate the antioxidants and aldose reductase (AR) inhibitors from the 70% MeOH extract of V. rigida, which exhibited remarkable antioxidant and AR inhibitory activities. Seven compounds were initially screened as target compounds exhibiting dual antioxidant and AR inhibitory activities using DPPH-/ultrafiltration-HPLC, which guided the subsequent pH-zone-refining CCC and HSCCC separations of these target compounds, namely 3-O-caffeoylquinic acid, 4-O-caffeoylquinic acid, 5-O-caffeoylquinic acid, 3,4-O-di-caffeoylquinic acid, 3,5-O-di-caffeoylquinic acid, 4,5-O-di-caffeoylquinic acid, and 3,4,5-O-tri-caffeoylquinic acid. These compounds are identified for the first time in V. rigida and exhibited remarkable antioxidant and AR inhibitory activities. The results demonstrate that the method established in this study can be used to efficiently screen and separate the antioxidants and AR inhibitors from natural products and, particularly, the root extract of V. rigida is a new source of caffeoylquinic acids with antioxidant and AR inhibitory activities, and it can be used as a potential functional food ingredient for diabetes.

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Screening and characterization of aldose reductase inhibitors from Traditional Chinese medicine based on ultrafiltration-liquid chromatography mass spectrometry and in silico molecular docking

Cited by 20 publications

References 34 publications

Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study

Inhibition of Aldose Reductase by Ginsenoside Derivatives via a Specific Structure Activity Relationship with Kinetics Mechanism and Molecular Docking Study

Systematic identification of the interventional mechanism of Qingfei Xiaoyan Wan (QFXYW) in treatment of the cytokine storm in acute lung injury using transcriptomics-based system pharmacological analyses

Valeriana rigida Ruiz & Pav. Root Extract: A New Source of Caffeoylquinic Acids with Antioxidant and Aldose Reductase Inhibitory Activities

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