Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications (Q36933260)

17 August 2017

Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applications (English)

1 reference

traditional Chinese medicine

17 August 2017

1 reference

object named as

traditional Chinese medicine

17 February 2024

Mingzhu Zhao

1 reference

17 August 2017

Qiang Zhou

series ordinal

1 reference

17 August 2017

Wanghao Ma

series ordinal

1 reference

17 August 2017

Dong-Qing Wei

series ordinal

1 reference

17 August 2017

2 June 2013

1 reference

Evidence-based Complementary and Alternative Medicine

17 August 2017

1 reference

17 August 2017

2013

1 reference

17 August 2017

806072

1 reference

Creative Commons Attribution 3.0 Unported

17 August 2017

start time

1 January 2013

1 reference

April 2022 Public Data File from Crossref

copyrighted

1 reference

April 2022 Public Data File from Crossref

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29 September 2017

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Supervised prediction of drug-target interactions using bipartite local models

29 September 2017

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A chemogenomics view on protein-ligand spaces

29 September 2017

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A systems biology understanding of the synergistic effects of arsenic sulfide and Imatinib in BCR/ABL-associated leukemia

29 September 2017

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Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.

29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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Inverse in silico screening for identification of kinase inhibitor targets.

29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

29 September 2017

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Knowledge discovery in traditional Chinese medicine: state of the art and perspectives

29 September 2017

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The challenge of predicting drug toxicity in silico

29 September 2017

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Global mapping of pharmacological space

29 September 2017

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Virtual ligand screening: strategies, perspectives and limitations

29 September 2017

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Identifying off-target effects and hidden phenotypes of drugs in human cells

29 September 2017

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Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor

29 September 2017

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An approach toward the problem of outliers in QSAR.

29 September 2017

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Emergentism as a default: cancer as a problem of tissue organization

29 September 2017

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GPCR antitarget modeling: pharmacophore models for biogenic amine binding GPCRs to avoid GPCR-mediated side effects

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Multi-targeting the entrance door to block HIV-1.

29 September 2017

1 reference

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Virtual screening of chemical libraries

29 September 2017

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29 September 2017

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Docking and scoring in virtual screening for drug discovery: methods and applications

29 September 2017

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Guided docking approaches to structure-based design and screening

29 September 2017

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Conformational changes of G protein-coupled receptors during their activation by agonist binding

29 September 2017

1 reference

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

29 September 2017

1 reference

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Generation of Predictive Pharmacophore Models for CCR5 Antagonists: Study with Piperidine- and Piperazine-Based Compounds as a New Class of HIV-1 Entry Inhibitors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

C-QSAR: a database of 18,000 QSARs and associated biological and physical data

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Multidimensional chemical genetic analysis of diversity-oriented synthesis-derived deacetylase inhibitors using cell-based assays

29 September 2017

1 reference

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Dissecting glucose signalling with diversity-oriented synthesis and small-molecule microarrays.

29 September 2017

1 reference

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Chem-bioinformatics: comparative QSAR at the interface between chemistry and biology

29 September 2017

1 reference

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Combinatorial computational method gives new picomolar ligands for a known enzyme

29 September 2017

1 reference

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Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

3-D pharmacophores in drug discovery

29 September 2017

1 reference

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HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching

29 September 2017

1 reference

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Computational methods for biomolecular docking.

29 September 2017

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Factors affecting the binding of tricyclic tranquillizers and antidepressants to human serum albumin

29 September 2017

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Automated Tongue Feature Extraction for ZHENG Classification in Traditional Chinese Medicine

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Matrine induces cell anergy in human Jurkat T cells through modulation of mitogen-activated protein kinases and nuclear factor of activated T-cells signaling with concomitant up-regulation of anergy-associated genes expression

27 June 2018

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

27 June 2018

1 reference

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Predicting protein-ligand interactions based on chemical preference features with its application to new D-amino acid oxidase inhibitor discovery

27 June 2018

1 reference

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Inferring pathway crosstalk networks using gene set co-expression signatures

4 September 2018

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Drug-target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus

4 September 2018

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Gaussian interaction profile kernels for predicting drug-target interaction

4 September 2018

1 reference

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The four-herb Chinese medicine PHY906 reduces chemotherapy-induced gastrointestinal toxicity

4 September 2018

1 reference

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Biochemical network-based drug-target prediction

4 September 2018

1 reference

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A novel methodology for multicomponent drug design and its application in optimizing the combination of active components from Chinese medicinal formula Shenmai

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Possible drug candidates for Alzheimer's disease deduced from studying their binding interactions with alpha7 nicotinic acetylcholine receptor.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Binding mechanism of H5N1 influenza virus neuraminidase with ligands and its implication for drug design

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Screening of herbal constituents for aromatase inhibitory activity

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Paul Ehrlich: founder of chemotherapy

4 September 2018

1 reference

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Screening for new agonists against Alzheimer's disease

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

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

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Structure-based maximal affinity model predicts small-molecule druggability.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Molecular insights of SAH enzyme catalysis and implication for inhibitor design

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

A computational approach to botanical drug design by modeling quantitative composition-activity relationship

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

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

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Pharmacokinetic interaction of paeoniflorin and sinomenine: pharmacokinetic parameters and tissue distribution characteristics in rats and protein binding ability in vitro

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Searching techniques for databases of two- and three-dimensional chemical structures

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Multiple active site corrections for docking and virtual screening.

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Development of novel EDG3 antagonists using a 3D database search and their structure-activity relationships

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

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

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Discovery of novel mesangial cell proliferation inhibitors using a three-dimensional database searching method

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

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

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Glossary of terms used in combinatorial chemistry (technical report).

4 September 2018

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GB/SA water model for the Merck molecular force field (MMFF).

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Concept design of computer-aided study on traditional Chinese drugs

4 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3684027

Computational toxicology: an overview of the sources of data and of modelling methods

4 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1155%2F2013%2F806072

Anti-SARS drug screening by molecular docking

21 January 2018

1 reference

12 December 2020

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

1 reference

12 December 2020

Study on the pharmacokinetics and metabolism of paeonol in rats treated with pure paeonol and an herbal preparation containing paeonol by using HPLC-DAD-MS method

1 reference

12 December 2020

Novel Positive Allosteric Modulators of the Human α7 Nicotinic Acetylcholine Receptor

1 reference

12 December 2020

Virtual screening of Chinese herbs with Random Forest

1 reference

12 December 2020

The inhibitory activities of the components of Huang-Lian-Jie-Du-Tang (HLJDT) on eicosanoid generation via lipoxygenase pathway

1 reference

12 December 2020

Traditional Chinese medicine network pharmacology: theory, methodology and application

1 reference

12 December 2020

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

1 reference

12 December 2020

A marine natural product database

1 reference

12 December 2020

Identifiers

DOI

10.1155/2013/806072

1 reference

17 August 2017

1 reference

17 August 2017

PubMed publication ID

23818932

1 reference