Evidence map›Paper›PMID 29234984›Full record

ArticleJournal of cheminformatics2017

BoBER: web interface to the base of bioisosterically exchangeable replacements.

Samo Lešnik, Blaž Škrlj, Nika Eržen, Urban Bren, Stanislav Gobec, Janez Konc, Dušanka Janežič

Open access · goldAbstract read
In one paragraph

Article in Journal of cheminformatics, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
0.9field-weighted citation impact, top 21% 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

5 citing papers in PubMed, 19 citations in OpenAlex.

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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 1 country.

Samo LešnikNational Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia.
Blaž ŠkrljNational Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia.
Nika ErženNational Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia.
Urban BrenNational Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia.
Stanislav GobecFaculty of Pharmacy, University of Ljubljana, Aškerčeva Cesta 7, 1000, Ljubljana, Slovenia.
Janez KoncNational Institute of Chemistry, Hajdrihova 19, 1000, Ljubljana, Slovenia. konc@cmm.ki.si.
Dušanka JanežičFaculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, Glagoljaška 8, 6000, Koper, Slovenia. dusanka.janezic@upr.si.ORCID http://orcid.org/0000-0001-5300-5997
University of Primorska · SINational Institute of Chemistry · SIJožef Stefan International Postgraduate School · SIUniversity of Ljubljana · SI

Funding

Javna Agencija za Raziskovalno Dejavnost RS J1-6736Javna Agencija za Raziskovalno Dejavnost RS J1-6743Javna Agencija za Raziskovalno Dejavnost RS L1-6745Javna Agencija za Raziskovalno Dejavnost RS L7-8269Javna Agencija za Raziskovalno Dejavnost RS P1-0002
6 · The paper itself

Abstract

We describe a novel freely available web server Base of Bioisosterically Exchangeable Replacements (BoBER), which implements an interface to a database of bioisosteric and scaffold hopping replacements. Bioisosterism and scaffold hopping are key concepts in drug design and optimization, and can be defined as replacements of biologically active compound's fragments with other fragments to improve activity, reduce toxicity, change bioavailability or to diversify the scaffold space. Our web server enables fast and user-friendly searches for bioisosteric and scaffold replacements which were obtained by mining the whole Protein Data Bank. The working of the web server is presented on an existing MurF inhibitor as example. BoBER web server enables medicinal chemists to quickly search for and get new and unique ideas about possible bioisosteric or scaffold hopping replacements that could be used to improve hit or lead drug-like compounds.

Indexed as

BioisosteresLigand fragmentsProBiSProtein superimpositionScaffold hopping

Identifiers

PMID29234984
PMCPMC5727005
OpenAlexW2772720275

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.