Evidence map›Paper›PMID 27845365›Full record

ArticleScientific reports2016

Computational Drug Target Screening through Protein Interaction Profiles.

Santiago Vilar, Elías Quezada, Eugenio Uriarte, Stefano Costanzi, Fernanda Borges, Dolores Viña, George Hripcsak

Open access · goldAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
1.8field-weighted citation impact, top 13% of its field
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

6 citing papers in PubMed, 12 citations in OpenAlex.

  1. Article
  2. Article
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  5. 90 years of monoamine oxidase: some progress and some confusion.Journal of neural transmission (Vienna, Austria : 1996) · 2018
    Review
  6. Review
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

7 authors at 4 institutions in 3 countries.

Santiago VilarDepartment of Biomedical Informatics, Columbia University Medical Center, New York, NY 10032, USA.
Elías QuezadaCIQUP, Department of Chemistry &Biochemistry, Faculty of Sciences, University of Porto, 4169-007, Porto, Portugal.
Eugenio UriarteDepartment of Organic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, 15782, Santiago de Compostela, Spain.
Stefano CostanziDepartment of Chemistry, American University, 20016 Washington, DC, USA.
Fernanda BorgesCIQUP, Department of Chemistry &Biochemistry, Faculty of Sciences, University of Porto, 4169-007, Porto, Portugal.
Dolores ViñaDepartment of Pharmacology, CIMUS, University of Santiago de Compostela, 15782, Santiago de Compostela, Spain.
George HripcsakDepartment of Biomedical Informatics, Columbia University Medical Center, New York, NY 10032, USA.
Columbia University Irving Medical Center · USUniversidade de Santiago de Compostela · ESUniversidade do Porto · PTAmerican University · US

Funding

DISCOVERING AND APPLYING KNOWLEDGE IN CLINICAL DATABASESR01LM006910 · NLM · COLUMBIA UNIVERSITY HEALTH SCIENCES · PI HRIPCSAK, GEORGE M · 2000 to 2023
$10.6M
NLM NIH HHS R01 LM006910
6 · The paper itself

Abstract

The development of computational methods to discover novel drug-target interactions on a large scale is of great interest. We propose a new method for virtual screening based on protein interaction profile similarity to discover new targets for molecules, including existing drugs. We calculated Target Interaction Profile Fingerprints (TIPFs) based on ChEMBL database to evaluate drug similarity and generated new putative compound-target candidates from the non-intersecting targets in each pair of compounds. A set of drugs was further studied in monoamine oxidase B (MAO-B) and cyclooxygenase-1 (COX-1) enzyme through molecular docking and experimental assays. The drug ethoxzolamide and the natural compound piperlongumine, present in Piper longum L, showed hMAO-B activity with IC

Indexed as

Binding SitesComputational BiologyCyclooxygenase 1Drug Evaluation, PreclinicalHumansImidazolesIndolesLapatinibMolecular ConformationMolecular Docking SimulationMonoamine OxidaseOximesProtein Interaction MapsPyridinesQuinazolines4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazoleCyclooxygenase 1Imidazolesindirubin-3'-monoximeIndolesLapatinibMonoamine OxidaseOximesPyridinesQuinazolines

Identifiers

PMID27845365
PMCPMC5109486
OpenAlexW2552956713

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.