Evidence map›Paper›PMID 30082652›Full record

ArticleMolecules (Basel, Switzerland)2018

Towards Intelligent Drug Design System: Application of Artificial Dipeptide Receptor Library in QSAR-Oriented Studies.

Andrzej Bak, Violetta Kozik, Malgorzata Walczak, Justyna Fraczyk, Zbigniew Kaminski, Beata Kolesinska, Adam Smolinski, Josef Jampilek

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.

0numbers the graph read from it
0cells of the map it votes in
10citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

10 citing papers in PubMed.

  1. Article
  2. Article
  3. Chemistry towards Biology-Instruct: Snapshot.International journal of molecular sciences · 2022
    Review
  4. Article
  5. Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?International journal of molecular sciences · 2021
    Review
  6. Article
  7. Article
  8. Article
  9. Article
  10. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Andrzej BakDepartment of Synthesis Chemistry, Faculty of Mathematics, Physics and Chemistry, University of Silesia, Szkolna 9, 40007 Katowice, Poland. andrzej.bak@us.edu.pl.ORCID 0000-0002-9842-1289
Violetta KozikDepartment of Synthesis Chemistry, Faculty of Mathematics, Physics and Chemistry, University of Silesia, Szkolna 9, 40007 Katowice, Poland. violetta.kozik@us.edu.pl.
Malgorzata WalczakInstitute of Organic Chemistry, Lodz University of Technology, Zeromskiego 116, 90924 Lodz, Poland. malgorzata.walczak@p.lodz.pl.
Justyna FraczykInstitute of Organic Chemistry, Lodz University of Technology, Zeromskiego 116, 90924 Lodz, Poland. justyna.fraczyk@p.lodz.pl.
Zbigniew KaminskiInstitute of Organic Chemistry, Lodz University of Technology, Zeromskiego 116, 90924 Lodz, Poland. zbigniew.kaminski@p.lodz.pl.
Beata KolesinskaInstitute of Organic Chemistry, Lodz University of Technology, Zeromskiego 116, 90924 Lodz, Poland. beata.kolesinska@p.lodz.pl.ORCID 0000-0002-4581-947X
Adam SmolinskiCentral Mining Institute, Gwarkow 1, 40166 Katowice, Poland. asmolinski@gig.katowice.pl.ORCID 0000-0002-4901-7546
Josef JampilekDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University, Odbojarov 10, 83232 Bratislava, Slovakia. josef.jampilek@gmail.com.ORCID 0000-0003-2003-9052

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The pharmacophore properties of a new series of potential purinoreceptor (P2X) inhibitors determined using a coupled neural network and the partial least squares method with iterative variable elimination (IVE-PLS) are presented in a ligand-based comparative study of the molecular surface by comparative molecular surface analysis (CoMSA). Moreover, we focused on the interpretation of noticeable variations in the potential selectiveness of interactions of individual inhibitor-receptors due to their physicochemical properties; therefore, the library of artificial dipeptide receptors (ADP) was designed and examined. The resulting library response to individual inhibitors was arranged in the array, preprocessed and transformed by the principal component analysis (PCA) and PLS procedures. A dominant absolute contribution to PC1 of the Glu attached to heptanoic gating acid and Phe bonded to the linker

Indexed as

Peptide LibraryQuantitative Structure-Activity RelationshipDipeptidesDrug DesignModels, MolecularNeural Networks, ComputerPrincipal Component AnalysisReceptors, ArtificialDipeptidesPeptide LibraryReceptors, Artificialartificial dipeptide libraryCoMSAIVE-PLSPX2 inhibitorsstochastic model validation

Identifiers

PMID30082652
PMCPMC6222794

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.