Evaluation of an ionic liquid chiral selector based on clindamycin phosphate in capillary electrophoresis

Ma, Xiaofei; Du, Yingxiang; Zhu, Xin‐Qi; Feng, Zijie; Chen, Cheng; Yang, Jiangxia

doi:10.1007/s00216-019-01967-z

Cited by 29 publications

(16 citation statements)

References 34 publications

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“…e PDB formats of proteins and ligand files in SDF formats were derived from the protein database (http://www.rcsb. org) and PubChem, respectively [20].…”

Section: Molecularmentioning

confidence: 99%

Exploring Molecular Mechanism of Huangqi in Treating Heart Failure Using Network Pharmacology

Tao

Huang

Wang

et al. 2020

Evidence-Based Complementary and Alternative Medicine

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Heart failure (HF), a clinical syndrome with a high incidence due to various reasons, is the advanced stage of most cardiovascular diseases. Huangqi is an effective treatment for cardiovascular disease, which has multitarget, multipathway functions. Therefore, we used network pharmacology to explore the molecular mechanism of Huangqi in treating HF. In this study, 21 compounds of Huangqi, which involved 407 targets, were obtained and reconfirmed using TCMSP and PubChem databases. Moreover, we used Cytoscape 3.7.1 to construct compound-target network and screened the top 10 compounds. 378 targets related to HF were obtained from CTD and GeneCards databases and HF-target network was constructed by Cytoscape 3.7.1. The 46 overlapping targets of HF and Huangqi were gotten by Draw Venn Diagram. STRING database was used to set up a protein-protein interaction network, and MCODE module and the top 5 targets with the highest degree for overlapping targets were obtained. GO analysis performed by Metascape indicated that the overlapping targets were mainly enriched in blood vessel development, reactive oxygen species metabolic process, response to wounding, blood circulation, and so on. KEGG analysis analyzed by ClueGO revealed that overlapping targets were mainly enriched in AGE-RAGE signaling pathway in diabetic complications, IL-17 signaling pathway, HIF-1 signaling pathway, c-type lectin receptor signaling pathway, relaxin signaling pathway, and so on. Finally, molecular docking showed that top 10 compounds of Huangqi also had good binding activities to important targets compared with digoxin, which was carried out in CB-Dock molecular docking server. In conclusion, Huangqi has potential effect on regulating overlapping targets and GE-RAGE signaling pathway in diabetic complications, IL-17 signaling pathway, HIF-1 signaling pathway, and so on to be a latent multitarget, multipathway treatment for HF.

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“…e PDB formats of proteins and ligand files in SDF formats were derived from the protein database (http://www.rcsb. org) and PubChem, respectively [20].…”

Section: Molecularmentioning

confidence: 99%

Exploring Molecular Mechanism of Huangqi in Treating Heart Failure Using Network Pharmacology

Tao

Huang

Wang

et al. 2020

Evidence-Based Complementary and Alternative Medicine

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“…The investigation of incremental changes in different variables including the type of additive(s), concentration of additive(s), and pH is time-consuming. Molecular docking software has been used to characterize host/guest binding and guide method development. − Recently, an approach to streamline the selection of an appropriate concentration of the chiral selector was described . With preliminary information about the electrophoretic mobilities of the free and complexed molecular target as well as knowledge of the binding constants, the conditions leading to optimum resolution of the set are generated.…”

Section: Pharmaceuticalsmentioning

confidence: 99%

“…This allowed for up to a 900-fold increase in the detection limit. The use of maltodextrin and dextrin in conjunction with ionic liquids has been reported to improve the resolution of drugs. , Chiral selectivity has been achieved by combining ionic liquids with nondextrin additives. ,, One of these systems utilized tetrabutylammonium cations and chiral amino acid-based anions to separate phenethylamines . In the other example, the combination of tetramethylammonium cations and clindamycin phosphate increased the resolution of 6 chiral drugs 2-fold better than that achieved in the absence of the ionic liquid …”

Section: Pharmaceuticalsmentioning

confidence: 99%

Challenging Bioanalyses with Capillary Electrophoresis

et al. 2019

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This report covers advances in capillary electrophoresis (CE) from January 2018 through September 2019. A summary of the literature during this time period is insightful. A search performed using the SciFinder Scholar® database for journal reports (limited to English) using the term capillary electrophoresis returned approximately 1,800 publications. Further analysis of this list, depicted in Figure 1, provided a snapshot of activity in biomolecular research. Classes of biomolecules most frequently associated with CE publications were proteins, drugs, DNA and metabolites. Another measure of the impact of CE is the translation of this technology into society. A search of patent activity illustrating this process of CE technology transfer returned 346 patents published in all languages, with a substantial contribution reported only in Chinese (198 patents) or English (98 patents). The versatility of CE for biological systems is exemplified by the rise of the technique in several areas. Metabolomics research involving measurements of large sets of molecules with subtle structural differences benefits from rapid separations achieved with high peak capacity and automated instruments. Single cell and sub-cellular analyses continue to progress in CE because of the size compatibility of the technique with the sample. Other examples of areas utilizing CE that are accelerating include portable and printable instrumentation, affinity interaction, as well as proteomics. As an established analytical tool, CE instrumentation and methods have been designed to be accessible and easily adopted by researchers with expertise in areas beyond the field of separations. Generally, publications including CE measurements either outline innovations in the technique or they are compelling applications of a mature analytical approach. The goal of this review, which is limited to 180 citations, is

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“…In silico methods are alternatives to experimental approaches to screen for potential bioactivity of compounds of essential oil compounds; for example, docking evaluated in silico the ability of EOs to interact with molecular targets with advantages of being less time-consuming and cheap. We selected the top 10 core targets and got the ligand with relative content of the first 7 for molecular docking; the PDB formats of proteins were obtained from the protein database ( https://www.rcsb.org ) and ligand files in mol2 formats from PubChem ( https://pubchem.ncbi.nlm.nih.gov/ ) [ 48 ]; both of them were used in the same way they were obtained from the databases. Molecular docking was carried out in CB-Dock ( https://cao.labshare.cn/cb-dock/ ).…”

Section: Methodsmentioning

confidence: 99%

Study on the Multitarget Mechanism and Active Compounds of Essential Oil from Artemisia argyi Treating Pressure Injuries Based on Network Pharmacology

Tang

Zhou

et al. 2022

Evidence-Based Complementary and Alternative Medicine

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In order to comprehensively explore multitarget mechanism and key active compounds of Artemisia argyi essential oil (AAEO) in the treatment of pressure injuries (PIs), we analyzed the biological functions and pathways involved in the intersection targets of AAEO and PIs based on network pharmacology, and the affinity of AAEO active compounds and core targets was verified by molecular docking finally. In our study, we first screened 54 effective components according to the relative content and biological activity. In total, 103 targets related to active compounds of AAEO and 2760 targets associated with PIs were obtained, respectively, and 50 key targets were overlapped by Venny 2.1.0. The construction of key targets-compounds network was achieved by the STRING database and Cytoscape 3.7.2 software. GO analysis from Matespace shows that GO results are mainly enriched in biological processes, including adrenergic receptor activity, neurotransmitter clearance, and neurotransmitter metabolic process. KEGG analysis by the David and Kobas website shows that the key targets can achieve the treatment on PIs through a pathway in cancer, PI3K-Akt signaling pathway, human immunodeficiency virus 1 infection, MAPK signaling pathway, Wnt signaling pathway, etc. In addition, molecular docking results from the CB-Dock server indicated that active compounds of AAEO had good activity docking with the first 10 key targets. In conclusion, the potential targets and regulatory molecular mechanisms of AAEO in the treatment of PIs were analyzed by network pharmacology and molecular docking. AAEO can cure PIs through the synergistic effect of multicomponent, multitarget, and multipathway, providing a theoretical basis and new direction for further study.

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Evaluation of an ionic liquid chiral selector based on clindamycin phosphate in capillary electrophoresis

Cited by 29 publications

References 34 publications

Exploring Molecular Mechanism of Huangqi in Treating Heart Failure Using Network Pharmacology

Exploring Molecular Mechanism of Huangqi in Treating Heart Failure Using Network Pharmacology

Challenging Bioanalyses with Capillary Electrophoresis

Study on the Multitarget Mechanism and Active Compounds of Essential Oil from Artemisia argyi Treating Pressure Injuries Based on Network Pharmacology

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