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PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach
2010
Nucleic Acids Research
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SUMMARY We presented here the first web server for potential drug targets identification via large-scale reverse pharmacophore mapping strategy. ...
Herein, we present the first web-based tool PharmMapper for potential drug target prediction against any given small molecules via a 'reverse' pharmacophore mapping approach. ...
doi:10.1093/nar/gkq300
pmid:20430828
pmcid:PMC2896160
fatcat:i4dq7sv7araglncppme5tgu4gm
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database
2017
Nucleic Acids Research
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The PharmMapper online tool is a web server for potential drug target identification by reversed pharmacophore matching the query compound against an in-house pharmacophore model database. ...
In addition, the new web server is united with the statistically meaningful ranking of the identified drug targets, which is achieved through the use of standard scores. ...
DISCUSSION PharmMapper is an open-source web server that identifies potential drug targets via large-scale reverse pharmacophore mapping strategy. ...
doi:10.1093/nar/gkx374
pmid:28472422
pmcid:PMC5793840
fatcat:amn26acpsncfpjva22uvwp6q5u
The discovery of a novel inhibitor of apoptotic protease activating factor-1 (Apaf-1) for ischemic heart: synthesis, activity and target identification
2016
Scientific Reports
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Liu, X., et al., PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic acids research, 2010. 38(suppl 2): p. W609-W614. ...
The predicted target candidates for kinases of compound ZYZ-488 using PharmMapper server [1] .. Table S1 . ...
doi:10.1038/srep29820
pmid:27443636
pmcid:PMC4957240
fatcat:ox3tyh6h5ve57gjjml773s2gti
Identification of a Potential Target of Capsaicin by Computational Target Fishing
2015
Evidence-Based Complementary and Alternative Medicine
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In the present study, the potential targets of capsaicin were predicted using PharmMapper and confirmed via chemical-protein interactome (CPI) and molecular docking. ...
Carbonic anhydrase 2 was identified as the main disease-related target, with the pharmacophore model matching well with the molecular features of capsaicin. ...
Methods
Targets Predicted by PharmMapper. PharmMapper is a web server for potential drug target identification based on the use of a pharmacophore mapping approach [12] . ...
doi:10.1155/2015/983951
pmid:26770256
pmcid:PMC4681817
fatcat:cu3wdbz4rrcidlnbod6gg3fize
Modeling Analysis of Potential Target of Dolastatin 16 by Computational Virtual Screening
2018
Chemical and pharmaceutical bulletin
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In this study, peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP12) was predicted as a potential target of dolastatin 16 via PharmMapper as well as verified using chemical-protein interactome (CPI) and ...
FKBP1A has been previously identified as a target for the natural polyketide FK506 (tacrolimus), an immune suppressor inhibiting the rejection of organ transplantation in clinical use. ...
Experimental Targets Predicted by PharmMapper PharmMapper is a freely accessed web server that uses a pharmacophore mapping approach to identify potential target candidates for the given probe small molecules ...
doi:10.1248/cpb.c17-00966
pmid:29863061
fatcat:u7z2uisg2bd5dhjxtllez4mhsi
Identification of neprilysin as a potential target of arteannuin using computational drug repositioning
2017
Brazilian Journal of Pharmaceutical Sciences
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In this study, the reverse docking server PharmMapper was used to identify potential targets of arteannuin. ...
The chemical-protein interactome and docking results agreed with those of PharmMapper, further implicating neprilysin as a potential target. ...
MATERIALS AND METHODS
Target prediction by PharmMapper PharmMapper (http://59.78.96.61/pharmmapper) is a web server for identification of potential drug targets that utilises a large-scale reverse pharmacophore ...
doi:10.1590/s2175-97902017000216087
fatcat:ke43lxfhwndebbisp4dht3aiza
A Potential Target of Tanshinone IIA for Acute Promyelocytic Leukemia Revealed by Inverse Docking and Drug Repurposing
2014
Asian Pacific Journal of Cancer Prevention
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In this research, PharmMapper server was used as the inverse docking tool andnd the results were verified by Autodock vina in PyRx 0.8, and by DRAR-CPI, a server for drug repositioning via the chemical-protein ...
These results indicated that RARα may be a potential target of Tanshinone IIA for APL. The study can provide useful information for further biological and biochemical research on natural compounds. ...
Materials and Methods Protein target prediction by PharmMapper Pharm Mapper server is a web server for potential drug target identification using pharmacophore mapping approach (Liu et al., 2010) . ...
doi:10.7314/apjcp.2014.15.10.4301
fatcat:tvvcnzfu3vak3pfhepnaq2cx7m
Identification of a Potential Anticancer Target of Danshensu by Inverse Docking
2014
Asian Pacific Journal of Cancer Prevention
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This approach can provide useful information for studying pharmacological effects of agents of interest. ...
Method: PharmMapper and idTarget servers were used as tools, and the results were checked with the molecular docking program autodock vina in PyRx 0.8. ...
target candidates for the given probe small molecules (drugs, natural products or other newly discovered compounds with binding target unidentified) using pharmacophore mapping approach (Liu et al., ...
doi:10.7314/apjcp.2014.15.1.111
fatcat:tt3ukgtbjzbdtbd4gr4f6ih4xa
iDrug: a web-accessible and interactive drug discovery and design platform
2014
Journal of Cheminformatics
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Several commercially available compound databases for hit identification and a well-annotated pharmacophore database for drug targets prediction were integrated in iDrug as well. ...
The web interface enables binding sites detection, virtual screening hits identification, and drug targets prediction in an interactive manner through a seamless interface to all adapted packages (e.g. ...
Target identification iDrug uses the reverse pharmacophore mapping procedure to predict potential drug targets. ...
doi:10.1186/1758-2946-6-28
pmid:24955134
pmcid:PMC4046018
fatcat:zeu54az7wfeerk5reebpxrjmmq
Systematic Understanding of the Mechanism of Salvianolic Acid A via Computational Target Fishing
2017
Molecules
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In the present study, the druggability of SAA was measured using the TCMSP server, and potential targets of SAA were identified by PharmMapper and DRAR-CPI. ...
Intersecting targets were then assessed by GeneMANIA and GO pathway analysis, and drug-target-pathway networks were constructed to give a visual view. ...
Computational Target Fishing by PharmMapper and DRAR-CPI PharmMapper, a reverse docking server, can identify potential protein targets for small molecule compounds via a pharmacophore mapping approach ...
doi:10.3390/molecules22040644
pmid:28420179
fatcat:xydz3ticifbtziitnu5wlqmkqe
ANALYSIS OF NEW POLYFLUOROTHIOACYLATED AMINO ACIDS DERIVATIVES BY IN SILICO AND IN VITRO METHODS
2017
Mìkrobìologìâ ì Bìotehnologìâ
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PASS software, web-server PharmMapper, PCR, MTT assay, trypan blue and neutral red assay were used. Results. ...
Several targets were identified by using molecular docking (PharmMapper). ...
PharmMapper is a web server for identification of potential drug target based on the use of a pharmacophore mapping approach. ...
doi:10.18524/2307-4663.2017.4(40).118939
fatcat:d5h6hkf6xvfmvbadhjscau6w7e
Uncovering the action mechanism of polydatin via network pharmacological target prediction
2018
RSC Advances
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Polydatin (PD), a small natural compound originally extracted from Polygonum cuspidatum, exerts distinct biological functions in a variety of diseases. ...
using pharmacophore mapping approach. 46 For a given compound, it can provide the top 300 targets, sorted by t score in descending order. ...
Identication of potentially drug targets by PharmMapper and ChemMapper PharmMapper, as a reverse docking server, can identify the potentially protein target candidates for the given probe small molecules ...
doi:10.1039/c8ra03124j
pmid:35539671
pmcid:PMC9080635
fatcat:66j6cr5n4rd7bhpnsr7csky4wa
Reverse pharmacophore mapping and molecular docking studies for discovery of GTPase HRas as promising drug target for bis-pyrimidine derivatives
2018
Chemistry Central Journal
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An open web server PharmMapper was used to identify the possible target of the developed compounds through reverse pharmacophore mapping. ...
PharmMapper, a robust online tool was used for identifying the target proteins based on reverse pharmacophore mapping. ...
Acknowledgements The authors are thankful to Head, Department of Pharmaceutical Sciences, Maharshi Dayanand University, Rohtak, for providing necessary facilities to carry out this research work. ...
doi:10.1186/s13065-018-0475-5
pmid:30345469
pmcid:PMC6768019
fatcat:xnbndoleh5gqjet35a4ivv2tjy
Antiviral and apoptosis modulating potential of fluorinated derivatives of uracil
2018
ScienceRise Biological Science
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PharmMapper is a web server for potential drug target identification based on the use of a pharmacophore mapping approach. ...
The PharmMapper online tool is a web server for potential drug target identification by reversed pharmacophore matching the query compound against an in-house pharmacophore model database. ...
doi:10.15587/2519-8025.2018.124689
fatcat:ngptivx3ejerhbpfxzjellzmle
Recent Advances in In Silico Target Fishing
2021
Molecules
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For these reasons, target fishing has increasingly become a key approach for polypharmacology, drug repurposing, and the identification of new drug targets. ...
In silico target fishing, whose aim is to identify possible protein targets for a query molecule, is an emerging approach used in drug discovery due its wide variety of applications. ...
Another widespread tool is PharmMapper, a freely accessible web server for target identification based on the pharmacophore mapping procedure [121] . ...
doi:10.3390/molecules26175124
pmid:34500568
fatcat:jmz5qvhosjcg7jyey4rzbpuvce
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