Evidence map›Paper›PMID 28653253›Full record

ArticleJournal of computer-aided molecular design2017

Two-track virtual screening approach to identify both competitive and allosteric inhibitors of human small C-terminal domain phosphatase 1.

Hwangseo Park, Hye Seon Lee, Bonsu Ku, Sang-Rae Lee, Seung Jun Kim

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of computer-aided molecular design, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.6field-weighted citation impact, top 34% 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

1 citing paper in PubMed, 5 citations in OpenAlex.

  1. 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

5 authors at 2 institutions in 1 country.

Hwangseo ParkDepartment of Bioscience and Biotechnology, Sejong University, 209 Neungdong-ro, Kwangjin-gu, Seoul, 05006, South Korea. hspark@sejong.ac.kr.
Hye Seon LeeDisease Target Structure Research Center, Korea Research Institute of Bioscience and Biotechnology, 125 Gwahak-ro, Yuseong-gu, Daejeon, 34141, South Korea.
Bonsu KuDisease Target Structure Research Center, Korea Research Institute of Bioscience and Biotechnology, 125 Gwahak-ro, Yuseong-gu, Daejeon, 34141, South Korea.
Sang-Rae LeeNational Primate Research Center, Korea Research Institute of Bioscience and Biotechnology, 30 Yeongudanji-ro, Cheongwon-gu, Cheongju, 28116, South Korea.
Seung Jun KimDisease Target Structure Research Center, Korea Research Institute of Bioscience and Biotechnology, 125 Gwahak-ro, Yuseong-gu, Daejeon, 34141, South Korea. ksj@kribb.re.kr.
Korea Research Institute of Bioscience and Biotechnology · KRSejong University · KR

Funding

Bio & Medical Technology Development Programs 2015M3A9B5030308BioNano Health-Guard Research Center H-GUARD_2014M3A6B2060507National Research Foundation of Korea 2014M3A9B6070243
6 · The paper itself

Abstract

Despite a wealth of persuasive evidence for the involvement of human small C-terminal domain phosphatase 1 (Scp1) in the impairment of neuronal differentiation and in Huntington's disease, small-molecule inhibitors of Scp1 have been rarely reported so far. This study aims to the discovery of both competitive and allosteric Scp1 inhibitors through the two-track virtual screening procedure. By virtue of the improvement of the scoring function by implementing a new molecular solvation energy term and by reoptimizing the atomic charges for the active-site Mg

Indexed as

Allosteric RegulationBinding SitesCations, DivalentDatabases, ChemicalDrug DesignHumansKineticsMagnesiumMolecular Docking SimulationNuclear ProteinsPhosphoprotein PhosphatasesProtein BindingStructure-Activity RelationshipThermodynamicsCations, DivalentCTDSP1 protein, humanMagnesiumNuclear ProteinsPhosphoprotein PhosphatasesAllosteric inhibitorCompetitive inhibitorDockingSmall C-terminal domain phosphatase 1Virtual screening

Identifiers

PMID28653253
OpenAlexW2674696173

What OpenQuestion holds

Textmetadata
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.