(Q34156604)

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In-silico studies in Chinese herbal medicines' research: evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date

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scholarly article

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Europe PubMed Central

PubMed publication ID

31 July 2017

In-silico studies in Chinese herbal medicines' research: evaluation of in-silico methodologies and phytochemical data sources, and a review of research to date (English)

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

research assessment

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author name string

D J Barlow

1

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Europe PubMed Central

PubMed publication ID

31 July 2017

A Buriani

2

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Europe PubMed Central

PubMed publication ID

31 July 2017

T Ehrman

3

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Europe PubMed Central

PubMed publication ID

31 July 2017

E Bosisio

4

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Europe PubMed Central

PubMed publication ID

31 July 2017

I Eberini

5

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Europe PubMed Central

PubMed publication ID

31 July 2017

P J Hylands

6

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Europe PubMed Central

PubMed publication ID

31 July 2017

publication date

2 February 2012

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Europe PubMed Central

PubMed publication ID

31 July 2017

Journal of Ethnopharmacology

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Europe PubMed Central

PubMed publication ID

31 July 2017

140

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Europe PubMed Central

PubMed publication ID

31 July 2017

3

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Europe PubMed Central

PubMed publication ID

31 July 2017

526-534

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Europe PubMed Central

PubMed publication ID

31 July 2017

Development and validation of a genetic algorithm for flexible docking

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Pharmacophore modeling and virtual screening for designing potential PLK1 inhibitors.

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Metabonomic study on 'Kidney-Yang Deficiency syndrome' and intervention effects of Rhizoma Drynariae extracts in rats using ultra performance liquid chromatography coupled with mass spectrometry

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Virtual screening for novel quorum sensing inhibitors to eradicate biofilm formation of Pseudomonas aeruginosa.

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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HMDB: a knowledgebase for the human metabolome

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Virtual Screening on Natural Products for Discovering Active Compounds and Target Information

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Screening of herbal constituents for aromatase inhibitory activity

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Systems medicine: the future of medical genomics and healthcare

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Statistical validation of peptide identifications in large-scale proteomics using the target-decoy database search strategy and flexible mixture modeling

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Virtual screening for finding natural inhibitor against cathepsin-L for SARS therapy.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Update of TTD: Therapeutic Target Database

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Discovery of potent inhibitors for phosphodiesterase 5 by virtual screening and pharmacophore analysis

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Computer automated prediction of potential therapeutic and toxicity protein targets of bioactive compounds from Chinese medicinal plants

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Relationship Between San-Huang-Xie-Xin-Tang and its herbal components on the gene expression profiles in HepG2 cells

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Placement of medium-sized molecular fragments into active sites of proteins.

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Virtual screening of Chinese herbs with Random Forest

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https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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A 3D structure database of components from Chinese traditional medicinal herbs

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Potential ex vivo immunomodulatory effects of San-Huang-Xie-Xin-Tang and its component herbs on mice and humans.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Metabolic profiling and the metabolome-wide association study: significance level for biomarker identification

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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CEBS--Chemical Effects in Biological Systems: a public data repository integrating study design and toxicity data with microarray and proteomics data.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Omic techniques in systems biology approaches to traditional Chinese medicine research: present and future.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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The Connectivity Map: a new tool for biomedical research

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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SMPDB: The Small Molecule Pathway Database

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Pharmacophore modelling and virtual screening for identification of new Aurora-A kinase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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[Screening of new HIV inhibitors based on the database of traditional Chinese medicine]

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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The Protein Data Bank

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Ginkgo biloba extract induces gene expression changes in xenobiotics metabolism and the Myc-centered network

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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In silico fragmentation for computer assisted identification of metabolite mass spectra

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Genomics Portals: integrative web-platform for mining genomics data.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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EDGE: a centralized resource for the comparison, analysis, and distribution of toxicogenomic information

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Matching chemistry and shape in molecular docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Proteomic databases and tools to decipher post-translational modifications

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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T3DB: a comprehensively annotated database of common toxins and their targets

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Metabonomic study of biochemical changes in the urine of Morning Glory Seed treated rat.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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The genetic association database

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Proteomics characterization of the cytotoxicity mechanism of ganoderic acid D and computer-automated estimation of the possible drug target network

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Discovering COX-inhibiting constituents of Morus root bark: activity-guided versus computer-aided methods

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Genome-wide association study in humans

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Adaptive discriminant function analysis and reranking of MS/MS database search results for improved peptide identification in shotgun proteomics

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Pharmacophore modeling and in silico screening for new KDR kinase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Potential synergism and inhibitors to multiple target enzymes of Xuefu Zhuyu Decoction in cardiac disease therapeutics: a computational approach.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients?

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Interaction of a traditional Chinese Medicine (PHY906) and CPT-11 on the inflammatory process in the tumor microenvironment

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Phytochemical databases of Chinese herbal constituents and bioactive plant compounds with known target specificities

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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PRIDE Inspector: a tool to visualize and validate MS proteomics data

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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PHASE: a novel approach to pharmacophore modeling and 3D database searching

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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The standard protein mix database: a diverse data set to assist in the production of improved Peptide and protein identification software tools

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Functional proteomics reveal the effect of Salvia miltiorrhiza aqueous extract against vascular atherosclerotic lesions

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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TarFisDock: a web server for identifying drug targets with docking approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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MassBank: a public repository for sharing mass spectral data for life sciences

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Navigating the human metabolome for biomarker identification and design of pharmaceutical molecules.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Molecular formula and METLIN Personal Metabolite Database matching applied to the identification of compounds generated by LC/TOF-MS

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Unraveling human complexity and disease with systems biology and personalized medicine

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Anti-inflammatory activities of Sieboldogenin from Smilax china Linn.: experimental and computational studies

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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CHMIS-C: a comprehensive herbal medicine information system for cancer

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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BiGG: a Biochemical Genetic and Genomic knowledgebase of large scale metabolic reconstructions

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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PDTD: a web-accessible protein database for drug target identification

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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MolDock: a new technique for high-accuracy molecular docking

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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GPDE: A biological proteomic database for biomarker discovery and evaluation

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Establishing an EU-China consortium on traditional Chinese medicine research.

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Automated docking of flexible ligands: applications of AutoDock

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Phytochemical informatics and virtual screening of herbs used in Chinese medicine

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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Extending biochemical databases by metabolomic surveys

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Discovery of molecular mechanisms of traditional Chinese medicinal formula Si-Wu-Tang using gene expression microarray and connectivity map

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

based on heuristic

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TCMGeneDIT: a database for associated traditional Chinese medicine, gene and disease information using text mining

1 reference

https://pubmed.ncbi.nlm.nih.gov/22326356

12 December 2020

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Identifiers

10.1016/J.JEP.2012.01.041

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

release_ohqbrw6xq5glre2xsxmb65tdzu

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https://api.fatcat.wiki/v0/release/ohqbrw6xq5glre2xsxmb65tdzu

24 November 2022

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1 reference

https://api.fatcat.wiki/v0/release/ohqbrw6xq5glre2xsxmb65tdzu

24 November 2022

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

ResearchGate publication ID

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