Commentary: Potential Mechanism Prediction of Herbal Medicine for Pulmonary Fibrosis Associated With SARS-CoV-2 Infection Based on Network Analysis and Molecular Docking

Jia, Congchao; Peng, XiuFan; Chi, Hao; Tian, Gang

doi:10.3389/fphar.2021.781941

Cited by 1 publication

(1 citation statement)

References 12 publications

(14 reference statements)

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“…However, due to the steps such as extraction and purification, the chemical composition of TCM preparations differs from that of the original herbs. Currently, the network pharmacology studies of TCM are mostly based on herbal compounds from online public databases [10,11], however, these studies could not ensure that the compounds utilized for network pharmacology analysis were actually active substances present in the TCM preparations. Therefore, it is necessary to systematically characterize the chemical ingredients or profiles of the TCM preparations, to clearly demonstrate its material basis, improve its quality control and make the subsequent pharmacology studies more reliable and replicable.…”

Section: Introductionmentioning

confidence: 99%

An integrated approach of high‐performance liquid chromatography–mass spectrometry‐based chemical profiling, network pharmacology, and molecular docking to reveal the potential mechanisms of Qishen Gubiao granules for treating coronavirus disease 2019

Yang

Zhang

et al. 2023

J of Separation Science

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a traditional Chinese medicine preparation composed of nine herbs, have been widely used to prevent and treat coronavirus disease 2019 with good clinical efficacy. In the present study, an integrated strategy based on chemical profiling followed by network pharmacology and molecular docking was employed, to explore the active components and potential molecular mechanisms of Qishen Gubiao granules in the therapy of coronavirus disease 2019. Using the ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry technique, a total of 186 ingredients corresponding to eight structure types in Qishen Gubiao preparation were identified or structurally annotated with the elucidation of the fragmentation pathways in the typical compounds. The network pharmacology analysis screened 28 key compounds including quercetin, apigenin, scutellarein, luteolin and naringenin acting on 31 key targets, which possibly modulated signal pathways associated with immune and inflammatory responses in the treatment of coronavirus disease 2019. The molecular docking results observed that the top 5 core compounds

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Section: Introductionmentioning

confidence: 99%