α-glucosidase immobilization on magnetic core-shell metal-organic frameworks for inhibitor screening from traditional Chinese medicines

Wan, Guang-Zhen; Ma, Xuexiao; Jin, Ling; Chen, Juan

doi:10.1016/j.colsurfb.2021.111847

Cited by 24 publications

(7 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Among them, 27 compounds were obtained from Radix et Rhizoma Rhei, and 15 of them were collected from literature mining, involving emodin, chrysophanol, physcion, sennoside A, sennoside B, sennoside C, sennoside D and sennidin A, etc. [46][47][48][49]. There were 18 compounds in Semen Armeniacae Amarum and 1 compound was collected by literature [50].…”

Section: Collection Of Compounds and Targets In Xbcqdmentioning

confidence: 99%

Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis

et al. 2022

View full text Add to dashboard Cite

Xuanbai Chengqi Decoction (XBCQD), a classic traditional Chinese medicine, has been widely used to treat COVID-19 in China with remarkable curative effect. However, the chemical composition and potential therapeutic mechanism is still unknown. Here, we used multiple open-source databases and literature mining to select compounds and potential targets for XBCQD. The COVID-19 related targets were collected from GeneCards and NCBI gene databases. After identifying putative targets of XBCQD for the treatment of COVID-19, PPI network was constructed by STRING database. The hub targets were extracted by Cytoscape 3.7.2 and MCODE analysis was carried out to extract modules in the PPI network. R 3.6.3 was used for GO enrichment and KEGG pathway analysis. The effective compounds were obtained via network pharmacology and bioinformatics analysis. Drug-likeness analysis and ADMET assessments were performed to select core compounds. Moreover, interactions between core compounds and hub targets were investigated through molecular docking, molecular dynamic (MD) simulations and MM-PBSA calculations. As a result, we collected 638 targets from 61 compounds of XBCQD and 845 COVID-19 related targets, of which 79 were putative targets. Based on the bioinformatics analysis, 10 core compounds and 34 hub targets of XBCQD for the treatment of COVID-19 were successfully screened. The enrichment analysis of GO and KEGG indicated that XBCQD mainly exerted therapeutic effects on COVID-19 by regulating signal pathways related to viral infection and inflammatory response. Meanwhile, the results of molecular docking showed that there was a stable binding between the core compounds and hub targets. Moreover, MD simulations and MM-PBSA analyses revealed that these compounds exhibited stable conformations and interacted well with hub targets during the simulations. In conclusion, our research comprehensively explained the multi-component, multi-target, and multi-pathway intervention mechanism of XBCQD in the treatment of COVID-19, which provided evidence and new insights for further research. Graphical abstract Supplementary Information The online version contains supplementary material available at 10.1007/s11030-022-10415-7.

show abstract

Section: Collection Of Compounds and Targets In Xbcqdmentioning

confidence: 99%

Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis

et al. 2022

View full text Add to dashboard Cite

show abstract

“…16 A polydopamine (PDA) composite layer with a certain thickness can be coated on various organic and inorganic materials by virtue of the self-polymerization-adhesion behavior of dopamine, thus providing functional groups for further modification. 17…”

Section: Introductionmentioning

confidence: 99%

α-Glucosidase immobilization on the metal–organic framework composite membrane for enzyme inhibitor screening

Wen,

Wan,

Sun

et al. 2024

New J. Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

“…Immobilized enzymes have been developed as affinity separation media for selectively enriching bioactive compounds from complex mixtures [ 12 , 13 , 14 , 15 ]. In recent decades, a number of materials, including magnetic beads [ 16 , 17 , 18 ], microspheres [ 19 , 20 , 21 ], capillary electrophoresis [ 22 ], and MOFs [ 23 ], have been used to immobilize ACE on surfaces and screen ACE inhibitory peptides from protein hydrolysate.…”

Section: Introductionmentioning

confidence: 99%

Anchoring of Polymer Loops on Enzyme-Immobilized Mesoporous ZIF-8 Enhances the Recognition Selectivity of Angiotensin-Converting Enzyme Inhibitory Peptides

et al. 2023

View full text Add to dashboard Cite

Immobilized angiotensin-converting enzyme (ACE) is a promising material for the rapid screening of antihypertensive drugs, but the nonspecific adsorption is a serious problem in separation processes involving complex biological products. In this study, triblock copolymers with dopamine (DA) block as anchors and PEG block as the main body (DA-PEGx-DA) were attached to an immobilized ACE (ACE@mZIF-8/PDA, AmZP) surface via the “grafting to” strategy which endowed them with anti-nonspecific adsorption. The influence of DA-PEGx-DA chain length on nonspecific adsorption was confirmed. The excellent specificity and reusability of the obtained ACE@mZIF-8/PDA/DA-PEG5000-DA (AmZPP5000) was validated by screening two known ACE inhibitory peptides Val-Pro-Pro (VPP, competitive inhibitory peptides of ACE) and Gly-Met-Lys-Cys-Ala-Phe (GF-6, noncompetitive inhibitory peptides of ACE) from a mixture containing active and inactive compounds. These results demonstrate that anchored polymer loops are effective for high-recognition selectivity and AmZPP5000 is a promising compound for the efficient separation of ACE inhibitors in biological samples.

show abstract

α-glucosidase immobilization on magnetic core-shell metal-organic frameworks for inhibitor screening from traditional Chinese medicines

Cited by 24 publications

References 41 publications

Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis

Chemical composition and therapeutic mechanism of Xuanbai Chengqi Decoction in the treatment of COVID-19 by network pharmacology, molecular docking and molecular dynamic analysis

α-Glucosidase immobilization on the metal–organic framework composite membrane for enzyme inhibitor screening

Anchoring of Polymer Loops on Enzyme-Immobilized Mesoporous ZIF-8 Enhances the Recognition Selectivity of Angiotensin-Converting Enzyme Inhibitory Peptides

Contact Info

Product

Resources

About