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TarFisDock specifications


Unique identifier OMICS_04111
Name TarFisDock
Interface Web user interface
Restrictions to use None
Input data The small molecule to be tested.
Input format mol2
Computer skills Basic
Stability No
Registration required Yes
Maintained No



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Publication for TarFisDock

TarFisDock citations


Predicting the Reliability of Drug target Interaction Predictions with Maximum Coverage of Target Space

PMCID: 5476590
PMID: 28630414
DOI: 10.1038/s41598-017-04264-w

[…] adopts a particular model type: supervised learning (e.g. naïve bayes classifier, , tamosic, kernel classifiers), unsupervised learning (e.g. sea, superpred, chemprot-2.0) or structure-based (e.g. tarfisdock, invdock, pharmmapper). on the other hand, ligand-centric methods are based on calculating the similarity of a very large number of target-annotated molecules to the query molecule. […]


The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing

PMCID: 5308821
PMID: 28196116
DOI: 10.1371/journal.pone.0171433

[…] to identify therapeutic targets of medicinal herbal ingredients as well as synthetic chemicals and the majority of identified therapeutic targets have been confirmed[]. in 2012, eric et al. used tarfisdock to conduct reverse docking against a pool of protein targets and identified the potential targets to rationalize the cytotoxic effects of aryl-aminopyridines and their derivatives[]. […]


Discovery of the molecular mechanisms of the novel chalcone based Magnaporthe oryzae inhibitor C1 using transcriptomic profiling and co expression network analysis

PMCID: 5075332
PMID: 27818889
DOI: 10.1186/s40064-016-3385-9

[…] analysis were performed using the agilent feature extraction package and genespring gx v11.5.1 software, respectively., the compound c1 was submitted to various web-based inverse docking servers: tarfisdock (gao et al. ; li et al. ), drar-cpi (luo et al. ), and pharmmapper (wang et al. ; liu et al. ). these web servers selected the known target proteins within their collections to profile […]


How Reliable Are Ligand Centric Methods for Target Fishing?

PMCID: 4830838
PMID: 27148522
DOI: 10.3389/fchem.2016.00015

[…] methods can interrogate any target that has at least one known ligand, target-centric models can only evaluate the typically much smaller set of targets for which a model can be built. for instance, tarfisdock (gao et al., ) predictions are limited to 1100 targets with available crystal structure and known binding site, whereas sea (keiser et al., , ) only evaluates targets with at least five […]


Global Mapping of Traditional Chinese Medicine into Bioactivity Space and Pathways Annotation Improves Mechanistic Understanding and Discovers Relationships between Therapeutic Action (Sub)classes

PMCID: 4775820
PMID: 26989424
DOI: 10.1155/2016/2106465

[…] zhang et al. identified putative targets of 19 natural products from two medicinal plants in tcm which were used for the treatment of diabetes and inflammation using a reverse docking approach, tarfisdock server []. the natural products showed moderate inhibitory activities against the most frequent target candidate, dipeptidyl peptidase iv (dpp-iv), with ic50 values ranging from 14.14 μm […]


Expression Profiling Identifies Bezafibrate as Potential Therapeutic Drug for Lung Adenocarcinoma

PMCID: 4622851
PMID: 26535062
DOI: 10.7150/jca.12191

[…] staining solution were added and incubated for 30 minutes in dark. finally, cells were analyzed by facscan flow cytometer (becton dickinson, usa) and evaluated using the cellquest program software., tarfisdock (www.dddc.ac.cn/tarfisdock), a webserver for identifying or seeking targets for a given ligand or a novel synthetic compound, could dock the given molecule into the protein targets […]

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TarFisDock institution(s)
Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China; Department of Engineering Mechanics, State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian, China; School of Pharmacy, East China University of Science and Technology, Shanghai, China
TarFisDock funding source(s)
Supported by the Special Fund for the Major State Basic Research Project of China (grants 2002CB512802 and 2002CB512807) from Ministry of Science and Technology of China and the National Natural Science Foundation of China (grant 10572033).

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