Evidence map›Paper›PMID 31697075›Full record

ArticleThe journal of physical chemistry. B2019

Computational Analysis of Energy Landscapes Reveals Dynamic Features That Contribute to Binding of Inhibitors to CFTR-Associated Ligand.

Graham T Holt, Jonathan D Jou, Nicholas P Gill, Anna U Lowegard, Jeffrey W Martin, Dean R Madden, Bruce R Donald

Abstract read
In one paragraph

Article in The journal of physical chemistry. B, 2019. 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
0.9field-weighted citation impact, top 23% 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. DexDesign: an OSPREY-based algorithm for designing de novo D-peptide inhibitors.Protein engineering, design & selection : PEDS · 2024
    Article
  2. Article
  3. Article
  4. Review
  5. Minimization-Aware RecursiveJournal of computational biology : a journal of computational molecular cell biology · 2020
    Article
  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 2 institutions in 1 country.

Graham T HoltDepartment of Computer Science , Duke University , Durham , North Carolina 27708 , United States.ORCID 0000-0003-3354-9748
Jonathan D JouDepartment of Computer Science , Duke University , Durham , North Carolina 27708 , United States.
Nicholas P GillDepartment of Biochemistry & Cell Biology , Geisel School of Medicine at Dartmouth , Hanover , New Hampshire 03755 , United States.
Anna U LowegardDepartment of Computer Science , Duke University , Durham , North Carolina 27708 , United States.
Jeffrey W MartinDepartment of Computer Science , Duke University , Durham , North Carolina 27708 , United States.
Dean R MaddenDepartment of Biochemistry & Cell Biology , Geisel School of Medicine at Dartmouth , Hanover , New Hampshire 03755 , United States.
Bruce R DonaldDepartment of Computer Science , Duke University , Durham , North Carolina 27708 , United States.
Duke University · USDartmouth College · US

Funding

Understanding the role of RNA-binding protein mutations in cancerP20GM113132 · NIGMS · DARTMOUTH COLLEGE · PI MADDEN, DEAN R · 2016 to 2025
$25.9M
Translational Research CoreP30DK117469 · NIDDK · DARTMOUTH COLLEGE · PI DEAN R MADDEN · 2018 to 2026
$13.9M
Molecular and Cellular Biology at DartmouthT32GM008704 · NIGMS · DARTMOUTH COLLEGE · PI COMPTON, DUANE A. · 1998 to 2018
$6.8M
Computational Structure-Based Protein DesignR01GM078031 · NIGMS · DUKE UNIVERSITY · PI DONALD, BRUCE R. · 2008 to 2021
$4.3M
Preclinical development of CFTR stabilizers targeting the CAL PDZ domainR01DK101541 · NIDDK · DARTMOUTH COLLEGE · PI MADDEN, DEAN R · 2014 to 2017
$1.9M
Deep Topological Sampling of Protein StructuresR01GM118543 · NIGMS · DUKE UNIVERSITY · PI DONALD, BRUCE R. · 2017 to 2020
$1.4M
NIDDK NIH HHS P30 DK117469NIDDK NIH HHS R01 DK101541NIGMS NIH HHS P20 GM113132NIGMS NIH HHS R01 GM078031NIGMS NIH HHS R01 GM118543NIGMS NIH HHS T32 GM008704
6 · The paper itself

Abstract

The CFTR-associated ligand PDZ domain (CALP) binds to the cystic fibrosis transmembrane conductance regulator (CFTR) and mediates lysosomal degradation of mature CFTR. Inhibition of this interaction has been explored as a therapeutic avenue for cystic fibrosis. Previously, we reported the ensemble-based computational design of a novel peptide inhibitor of CALP, which resulted in the most binding-efficient inhibitor to date. This inhibitor, kCAL01, was designed using osprey and evinced significant biological activity in

Indexed as

ThermodynamicsBinding SitesCystic FibrosisCystic Fibrosis Transmembrane Conductance RegulatorHumansLigandsModels, MolecularPeptidesCFTR protein, humanCystic Fibrosis Transmembrane Conductance RegulatorLigandsPeptides

Identifiers

PMID31697075
PMCPMC6995034
OpenAlexW2983889090

What OpenQuestion holds

Textmetadata
LicenceTDM
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.