ChemGPS-NP statistics

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ChemGPS-NP specifications

Information


Unique identifier OMICS_22397
Name ChemGPS-NP
Alternative names ChemGPS-NP Web, ChemGPS
Interface Web user interface
Restrictions to use None
Programming languages Perl
Computer skills Basic
Stability Stable
Maintained Yes

Maintainers


  • person_outline Josefin Rosen <>
  • person_outline ChemGPS-NP Team <>

Publications for ChemGPS-NP

ChemGPS-NP in publications

 (10)
PMCID: 5895059
PMID: 29641588
DOI: 10.1371/journal.pone.0195668

[…] those of other pkcα ligands we carried out a chemographic mapping including also the hmis and some of the most potent pkcα binders (for the complete list of the compounds see and ). we used the chemgps-npweb tool [–], a principal component analysis–based chemical global positioning system, which allows to plot organic compounds in a two/three-dimensional chemical space assigning a position […]

PMCID: 5867619
PMID: 29495481
DOI: 10.3390/md16030075

[…] against inducible nitric oxide synthase (inos) and cyclooxygenase-2 (cox-2) protein expressions in cells. in addition, principal component analysis using the chemical global positioning system (chemgps) for natural products (chemgps-np) was employed in order to analyze the structure-activity relationship (sar), and the results indicated that the ring conformation of the compound […]

PMCID: 5474496
PMID: 28674495
DOI: 10.3389/fphar.2017.00356

[…] of free unsaturated acids. nevertheless, hydroxylation of fatty acids (or their methyl esters) seems to be a key factor for the anti-allergic activity observed in the current study. moreover, chemgps-np was explored to predict the structure-activity relationship of fatty acids. the anti-allergic fatty acids formed different cluster distant from clinically used drugs. the bioactivity of t. […]

PMCID: 4999912
PMID: 27517937
DOI: 10.3390/md14080151

[…] positive control, 2′cmc. it is the first carotene-like substance possessing anti-dengue virus activity. in addition, the structural diversity and bioactivity of the isolates were compared by using a chemgps–np computational analysis. the chemgps–np data suggested natural products with anti-dengue virus activity locate closely in the chemical space., zoanthid of the genus palythoa (family […]

PMCID: 4046787
PMID: 24742115
DOI: 10.1021/sb400177x

[…] are more similar to natural products (np) or commercial screening compounds/synthetic small molecules., one convenient system to describe the np-likeness of a set of compounds is provided by the chemgps-np approach., this method converts relevant molecule descriptors (associated with concepts related to np-likeness, such as number of chiral centers, ratio of o vs n atoms, etc.) […]


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ChemGPS-NP institution(s)
Division of Pharmacognosy, Department of Medicinal Chemistry, Uppsala University, Uppsala, Sweden; IT-/Computing Department, Uppsala, Sweden; DECS Global Compound Sciences, AstraZeneca R&D, Molndal, Sweden; Pharmnovo Inc., Sahlgrenska Science Park, Gothenburg, Sweden

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