Evidence map›Paper›PMID 30274146›Full record

ArticleInternational journal of molecular sciences2018

Insights into the Structural Requirements of 2(S)-Amino-6-Boronohexanoic Acid Derivatives as Arginase I Inhibitors: 3D-QSAR, Docking, and Interaction Fingerprint Studies.

José Luis Velázquez-Libera, Carlos Navarro-Retamal, Julio Caballero

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing papers in PubMed
1.1field-weighted citation impact, top 20% 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

4 citing papers in PubMed, 7 citations in OpenAlex.

  1. Article
  2. Review
  3. Structural Requirements ofInternational journal of molecular sciences · 2019
    Article
  4. 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

3 authors at 1 institution in 1 country.

José Luis Velázquez-LiberaCentro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca, Talca 3460000, Chile. josevlibera2010@gmail.com.ORCID 0000-0002-4941-6619
Carlos Navarro-RetamalCentro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca, Talca 3460000, Chile. carlos.navarro87@gmail.com.
Julio CaballeroCentro de Bioinformática y Simulación Molecular (CBSM), Universidad de Talca, Talca 3460000, Chile. jcaballero@utalca.cl.ORCID 0000-0003-0182-1444
University of Talca · CL

Funding

Fondo Nacional de Desarrollo Científico y Tecnológico 1170718Fondo Nacional de Desarrollo Científico y Tecnológico 3170434
6 · The paper itself

Abstract

Human arginase I (hARGI) is an important enzyme involved in the urea cycle; its overexpression has been associated to cardiovascular and cerebrovascular diseases. In the last years, several congeneric sets of hARGI inhibitors have been reported with possible beneficial roles for the cardiovascular system. At the same time, crystallographic data have been reported including hARGI⁻inhibitor complexes, which can be considered for the design of novel inhibitors. In this work, the structure⁻activity relationship (SAR) of Cα substituted 2(S)-amino-6-boronohexanoic acid (ABH) derivatives as hARGI inhibitors was studied by using a three-dimensional quantitative structure⁻activity relationships (3D-QSAR) method. The predictivity of the obtained 3D-QSAR model was demonstrated by using internal and external validation experiments. The best model revealed that the differential hARGI inhibitory activities of the

Indexed as

Molecular Docking SimulationQuantitative Structure-Activity RelationshipAminocaproatesArginaseBoron CompoundsEnzyme InhibitorsHumansInhibitory Concentration 50Ligands2-amino-6-boronohexanoic acidAminocaproatesARG1 protein, humanArginaseBoron CompoundsEnzyme InhibitorsLigandsarginase inhibitorsdockinginteraction fingerprintsQSAR

Identifiers

PMID30274146
PMCPMC6213053
OpenAlexW2893544002

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.