Cargando…

Determining novel candidate anti-hepatocellular carcinoma drugs using interaction networks and molecular docking between drug targets and natural compounds of SiNiSan

BACKGROUND: SiNiSan (SNS) is an ancient traditional Chinese medicine (TCM) used to treat liver and spleen deficiencies. We studied the unique advantages of using SNS to treat hepatocellular carcinoma (HCC) with multiple components and targets to determine its potential mechanism of action. METHODS:...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zhang, Qin, Feng, Zhangying, Gao, Mengxi, Guo, Liru
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	PeerJ Inc. 2021
Materias:	Bioinformatics
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7894118/ https://www.ncbi.nlm.nih.gov/pubmed/33628636 http://dx.doi.org/10.7717/peerj.10745

Ejemplares similares

Systems Pharmacology Based Study of the Molecular Mechanism of SiNiSan Formula for Application in Nervous and Mental Diseases
por: Shen, Xia, et al.
Publicado: (2016)

A strategy to find novel candidate anti-Alzheimer’s disease drugs by constructing interaction networks between drug targets and natural compounds in medical plants
por: Chen, Bi-Wen, et al.
Publicado: (2018)

SiNiSan Ameliorates the Depression-Like Behavior of Rats That Experienced Maternal Separation Through 5-HT1A Receptor/CREB/BDNF Pathway
por: Cao, Kerun, et al.
Publicado: (2019)

A novel fatty acid metabolism-related gene prognostic signature and candidate drugs for patients with hepatocellular carcinoma
por: Yang, Jingze, et al.
Publicado: (2023)

A molecular dynamics simulation study of the ACE2 receptor with screened natural inhibitors to identify novel drug candidate against COVID-19
por: Srivastava, Neha, et al.
Publicado: (2021)

A Molecular Docking Study of Human STEAP2 for the Discovery of New Potential Anti-Prostate Cancer Chemotherapeutic Candidates
por: Ongaba, Timothy, et al.
Publicado: (2022)

In vitro and in silico evaluation of the design of nano-phyto-drug candidate for oral use against Staphylococcus aureus
por: Budama-Kilinc, Yasemin, et al.
Publicado: (2023)

Functional drug–target–disease network analysis of gene–phenotype connectivity for curcumin in hepatocellular carcinoma
por: Zhao, Yuanyuan, et al.
Publicado: (2021)

Integrated bioinformatics analysis reveals novel key biomarkers and potential candidate small molecule drugs in gestational diabetes mellitus
por: Alur, Varun, et al.
Publicado: (2021)

Potential mechanisms underlying the therapeutic roles of sinisan formula in depression: Based on network pharmacology and molecular docking study
por: Wang, Hui, et al.
Publicado: (2022)

Identification of novel biomarkers and candidate small molecule drugs in rheumatoid arthritis and osteoarthritis based on bioinformatics analysis of high‐throughput data
por: Zuo, Bin, et al.
Publicado: (2020)

Active ingredients and molecular targets of Taraxacum mongolicum against hepatocellular carcinoma: network pharmacology, molecular docking, and molecular dynamics simulation analysis
por: Zheng, Yanfeng, et al.
Publicado: (2022)

Quality Assessment of Protein Docking Models Based on Graph Neural Network
por: Han, Ye, et al.
Publicado: (2021)

Curcumin Chalcone Derivatives Database (CCDD): a Python framework for natural compound derivatives database
por: Rampogu, Shailima, et al.
Publicado: (2023)

Integration of genetically regulated gene expression and pharmacological library provides therapeutic drug candidates
por: Konuma, Takahiro, et al.
Publicado: (2021)

An algorithm for drug discovery based on deep learning with an example of developing a drug for the treatment of lung cancer
por: Chebanov, Dmitrii K., et al.
Publicado: (2023)

Identification of Master Regulators Driving Disease Progression, Relapse, and Drug Resistance in Lung Adenocarcinoma
por: Xu, Qiong, et al.
Publicado: (2022)

Analysis of ceRNA networks and identification of potential drug targets for drug-resistant leukemia cell K562/ADR
por: Liu, Zhaoping, et al.
Publicado: (2021)

Exploring mechanisms of Chaihu-Shugan-San against liver fibrosis by integrated multi-omics and network pharmacology approach
por: Xie, Zhihao, et al.
Publicado: (2022)

Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking
por: Simeon, Saw, et al.
Publicado: (2016)

Improving peptide-protein docking with AlphaFold-Multimer using forced sampling
por: Johansson-Åkhe, Isak, et al.
Publicado: (2022)

Molecular modeling, simulation and docking of Rv1250 protein from Mycobacterium tuberculosis
por: Choudhary, Sumita, et al.
Publicado: (2023)

Identification and validation of candidate genes dysregulated in alveolar macrophages of acute respiratory distress syndrome
por: Mao, Yong, et al.
Publicado: (2021)

Integrated network pharmacology and molecular docking approaches to reveal the synergistic mechanism of multiple components in Venenum Bufonis for ameliorating heart failure
por: Ren, Wei, et al.
Publicado: (2020)

Mining integrated semantic networks for drug repositioning opportunities
por: Mullen, Joseph, et al.
Publicado: (2016)

InterPepRank: Assessment of Docked Peptide Conformations by a Deep Graph Network
por: Johansson-Åkhe, Isak, et al.
Publicado: (2021)

Identification and validation of a three-gene signature as a candidate prognostic biomarker for lower grade glioma
por: Xiao, Kai, et al.
Publicado: (2020)

Study on the mechanism of Danshen-Guizhi drug pair in the treatment of ovarian cancer based on network pharmacology and in vitro experiment
por: Qin, Chongzhen, et al.
Publicado: (2022)

Predicting the Effects of Drug Combinations Using Probabilistic Matrix Factorization
por: Nafshi, Ron, et al.
Publicado: (2021)

Finding melanoma drugs through a probabilistic knowledge graph
por: McCusker, Jamie Patricia, et al.
Publicado: (2017)

XMR: an explainable multimodal neural network for drug response prediction
por: Wang, Zihao, et al.
Publicado: (2023)

Perspective on the challenges and opportunities of accelerating drug discovery with artificial intelligence
por: Santa Maria, John P., et al.
Publicado: (2023)

Investigating the molecular mechanism of iguratimod act on SLE using network pharmacology and molecular docking analysis
por: Zeng, Huiqiong, et al.
Publicado: (2022)

DrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit
por: Vlachakis, Dimitrios, et al.
Publicado: (2015)

Potential of artificial intelligence to accelerate diagnosis and drug discovery for COVID-19
por: Mikkili, Indira, et al.
Publicado: (2021)

Predicting Anticancer Drug Response With Deep Learning Constrained by Signaling Pathways
por: Zhang, Heming, et al.
Publicado: (2021)

Network neighborhood operates as a drug repositioning method for cancer treatment
por: Cüvitoğlu, Ali, et al.
Publicado: (2023)

Utilizing network pharmacology and molecular docking to explore the underlying mechanism of Guizhi Fuling Wan in treating endometriosis
por: Wang, Haoxian, et al.
Publicado: (2021)

A candidate multimodal functional genetic network for thermal adaptation
por: Wollenberg Valero, Katharina C., et al.
Publicado: (2014)

Identification of key candidate genes and biological pathways in bladder cancer
por: Gao, Xin, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_25jtue8dslnqauahod68s2khkl