Evidence map›Paper›PMID 31172362›Full record

ArticleJournal of molecular modeling2019

Pharmacophore modeling and virtual screening in search of novel Bruton's tyrosine kinase inhibitors.

Aditya Sharma, B K Thelma

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of molecular modeling, 2019. 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 30% 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, 7 citations in OpenAlex.

  1. 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

2 authors at 1 institution in 1 country.

Aditya SharmaDepartment of Genetics, University of Delhi South Campus, Benito Juarez Road, New Delhi, 110 021, India.
B K ThelmaDepartment of Genetics, University of Delhi South Campus, Benito Juarez Road, New Delhi, 110 021, India. thelmabk@gmail.com.
University of Delhi · IN

Funding

Department of Biotechnology , Ministry of Science and Technology (IN) BT/COE/34/SP15246/2015 (Phase II)
6 · The paper itself

Abstract

Bruton's tyrosine kinase (BTK) is a known drug target for B cell malignancies and autoimmune diseases like rheumatoid arthritis. Consequently, efforts to develop BTK inhibitors have gained momentum in the last decade, resulting in a number of potential inhibitory molecules. However, to date, there are only two FDA approved drugs for B cell malignancies (Ibrutinib and Acalabrutinib), thus continued efforts are warranted. A large number of molecular scaffolds with potential BTK inhibitory activity are already available from these studies, and therefore we employed a ligand-based approach towards computer-aided drug design to develop a pharmacophore model for BTK inhibitors. Using over 400 molecules with known half maximal inhibitory concentrations (IC

Indexed as

Molecular Docking SimulationMolecular Dynamics SimulationAgammaglobulinaemia Tyrosine KinaseAmino AcidsBinding SitesDatabases, PharmaceuticalDrug DesignDrug Screening Assays, AntitumorHumansLigandsMolecular ConformationProtein BindingProtein Kinase InhibitorsQuantitative Structure-Activity RelationshipAgammaglobulinaemia Tyrosine KinaseAmino AcidsLigandsProtein Kinase InhibitorsBruton’s tyrosine kinaseBTK inhibitorsMolecular dynamics simulationsPharmacophore modelingVirtual screening

Identifiers

PMID31172362
OpenAlexW2950087760

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.