Unraveling the Mechanism of Zhibaidihuang Decoction against IgA Nephropathy Using Network Pharmacology and Molecular Docking Analyses

Deng, Xiaoqi; Luo, Yu; Lu, Meiqi; Guan, Tianjun; Yu, Li; Guo, Xiaodan

doi:10.1620/tjem.2022.j088

Cited by 3 publications

(2 citation statements)

References 41 publications

(32 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…IgA nephropathy is a multifactorial disease related to chronic inflammation. And many previous studies have found that inflammation is the key factor driving the occurrence and development of IgA nephropathy [2,45,46]. Meanwhile, an abundance of inflammatory cytokines and cytokine receptors in the common target may be engaged in the cancer pathway, such as TNF, IL6, and IL2, which can explain why the cancer pathway ranks very high in KEGG analysis.…”

Section: Discussionmentioning

confidence: 97%

Network pharmacological analysis of hydroxychloroquine intervention in the treatment of IgA Nephropathy

Zou,

Guo,

Qian

et al. 2023

Preprint

View full text Add to dashboard Cite

Background: IgA nephropathy (IgAN) is the most prevalent primary glomerulonephritis worldwide and has a high propensity to develop into End-stage renal disease (ESRD). Hydroxychloroquine has been proven to reduce proteinuria in patients with IgAN, while the precise mechanism remains unclear. Therefore, we use network pharmacology to investigate the mechanism. Methods: We utilized PubChem and SwissADME databases to acquire the structure of hydroxychloroquine. Then, we utilized SwissTargetPrediction, PharmMapper, DrugBank, TargetNet, and BATMAN-TCM databases to get the targets. Furthermore, the target genes related to IgAN were gathered from the databases, including GeneCards, PHARMGKB, DrugBank, OMIM, and DisGeNET. And common targets were obtained by UniProt. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were undertaken to define the main molecular mechanisms and pathways. Moreover, we constructed protein-protein interaction (PPI) network by using the STRING tool and got the core targets by utilizing Cytoscape. Finally, the molecular docking between the core targets and hydroxychloroquine was performed. Results: We acquired 167 common target genes by overlapping. The core targets were TNF, ALB, IL1B, JUN, FOS, SRC, and MMP9. The GO and KEGG results indicated the targets were related to the production of inflammatory cytokines and chemokines and were engaged in the Toll-like receptor (TLR) signaling pathway. Meanwhile, the molecular docking results demonstrated that the core targets all combined with hydroxychloroquine closely. Conclusion: Our study indicated that hydroxychloroquine may treat IgAN through the TLR signaling pathway, and the restraint of TNF, TLR, ALB, and JUN may be crucial to the treatment.

show abstract

Section: Discussionmentioning

confidence: 97%

Network pharmacological analysis of hydroxychloroquine intervention in the treatment of IgA Nephropathy

Zou,

Guo,

Qian

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

“…Preceding the initiation of molecular docking, both the ligand and receptor underwent protonation and charge assignment. Molecular docking was conducted using the Auto Dock Vina 1.2.2 software, with binding energy calculations utilized to assess molecular binding activity [ 28 , 29 , 30 ]. The binding mode of patulin to the protein was visualized using Pymol 2.1 and BIOVIA Discovery Studio 4.5 software.…”

Section: Methodsmentioning

confidence: 99%

Patulin Biodegradation Mechanism Study in Pichia guilliermondii S15-8 Based on PgSDR-A5D9S1

Xi,

Wang,

et al. 2024

Toxins

View full text Add to dashboard Cite

Patulin contamination has become a bottleneck problem in the safe production of fruit products, although biodegradation technology shows potential application value in patulin control. In the present study, the patulin biodegradation mechanism in a probiotic yeast, Pichia guilliermondii S15-8, was investigated. Firstly, the short-chain dehydrogenase PgSDR encoded by gene A5D9S1 was identified as a patulin degradation enzyme, through RNA sequencing and verification by qRT-PCR. Subsequently, the exogenous expression system of the degradation protein PgSDR-A5D9S1 in E. coli was successfully constructed and demonstrated a more significant patulin tolerance and degradation ability. Furthermore, the structure of PgSDR-A5D9S1 and its active binding sites with patulin were predicted via molecular docking analysis. In addition, the heat-excited protein HSF1 was predicted as the transcription factor regulating the patulin degradation protein PgSDR-A5D9S1, which may provide clues for the further analysis of the molecular regulation mechanism of patulin degradation. This study provides a theoretical basis and technical support for the industrial application of biodegradable functional strains.

show abstract

The mechanism of Shenbing Decoction II against IgA nephropathy renal fibrosis revealed by UPLC-MS/MS, network pharmacology and experimental verification

Liu,

Chen,

Tian

et al. 2023

Heliyon

View full text Add to dashboard Cite

Unraveling the Mechanism of Zhibaidihuang Decoction against IgA Nephropathy Using Network Pharmacology and Molecular Docking Analyses

Cited by 3 publications

References 41 publications

Network pharmacological analysis of hydroxychloroquine intervention in the treatment of IgA Nephropathy

Network pharmacological analysis of hydroxychloroquine intervention in the treatment of IgA Nephropathy

Patulin Biodegradation Mechanism Study in Pichia guilliermondii S15-8 Based on PgSDR-A5D9S1

The mechanism of Shenbing Decoction II against IgA nephropathy renal fibrosis revealed by UPLC-MS/MS, network pharmacology and experimental verification

Contact Info

Product

Resources

About