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ZINCPharmer specifications

Information


Unique identifier OMICS_12311
Name ZINCPharmer
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline David Ryan Koes <>

Publications for ZINCPharmer

ZINCPharmer citations

 (12)
library_books

Repurposing and Reformulation of the Antiparasitic Agent Flubendazole for Treatment of Cryptococcal Meningoencephalitis, a Neglected Fungal Disease

2018
PMCID: 5913986
PMID: 29311092
DOI: 10.1128/AAC.01909-17

[…] were identified using the pharmacophore (i.e., an abstract description of molecular features that in this case are necessary for molecular recognition of flubendazole by β-tubulin) search software zincpharmer () at 4 å for hydrogen bonding interactions and 6 å for hydrophobic interactions., a new hollow-fiber infection model was developed to investigate the in vitro pharmacodynamics […]

library_books

An Integrated Computational Approach for Plant Based Protein Tyrosine Phosphatase Non Receptor Type 1 Inhibitors

2017
PMCID: 5744427
PMID: 28382867
DOI: 10.2174/1573409913666170406145607

[…] less than 10μm were used as a training set. a common feature pharmacophore model was generated. pharmacophore-based screening of plant-derived compounds of the zinc database was conducted using zincpharmer. screened hits were assessed to evaluate their drug-likeness, pharmacokinetics, detailed binding behavior, and aggregator possibility based on their physiochemical properties and chemical […]

library_books

Antivirals for allosteric inhibition of Zika virus using a homology model and experimentally determined structure of envelope protein

2017
PMCID: 5534091
PMID: 28754167
DOI: 10.1186/s13104-017-2685-7

[…] interactions with the zvep receptor to inhibit its biological effect. in the case of nag, the possible pharmacophore points are depicted in fig. a. then potential ligands were screened via zincpharmer using: a combination of location of the functional groups (e.g. proton donor/acceptor, hydrophobic groups, positive/negative ion, and exclusion spheres); stabilization […]

library_books

Pharmacophore feature based virtual screening for finding potent GSK 3 inhibitors using molecular docking and dynamics simulations

2016
PMCID: 5320924
PMID: 28293069
DOI: 10.6026/97320630012391

[…] with better binding potentials., accelrys discovery studio visualizer v4.0 [] was used to visualize the receptor, ligand structures, hydrogen-bonding network, bond lengths and to render images. the zincpharmer online server [] was used to identify structurally similar compounds using the pharmacophore features of tideglusib. arguslab v4.0.1[] was the primary docking program used in this study […]

library_books

Computational Methods Applied to Rational Drug Design

2016
PMCID: 5039900
PMID: 27708723
DOI: 10.2174/1874104501610010007

[…] also have the advantage of having extensive updated databases, which allows the virtual screening of millions of molecules. for instance, among the major online servers to perform vs there is the zincpharmer, sponsored by the university of pittsburgh (website: http://zincpharmer.csb.pitt.edu) []. this software allows researchers to perform online sbvs for free, mainly based on the established […]

library_books

Identification and Validation of a Potent Dual Inhibitor of the P. falciparum M1 and M17 Aminopeptidases Using Virtual Screening

2015
PMCID: 4583420
PMID: 26406322
DOI: 10.1371/journal.pone.0138957

[…] features tolerance and by adjusting the exclusion volume spheres, in order to extract only bestatin and hphep[ch2]phe from the database of decoys., virtual screening was carried out using zincpharmer [] and ligandscout software package v. 3.1 [], using the previously obtained pharmacophore models, to search the zinc database of fixed conformers []. a maximum of 0.5 å root mean square […]


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ZINCPharmer institution(s)
Department of Computational and Systems Biology, University of Pittsburgh, Pittsburgh, PA, USA
ZINCPharmer funding source(s)
National Institutes of Health [GM097082]; National Institutes of Health [GM71896, supporting the ZINC database]

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