Evidence map›Paper›PMID 40801814›Full record

ArticleJournal of medicinal chemistry2025

Affinity and Selectivity of Protein-Ligand Recognition: A Minor Chemical Modification Changes Carbonic Anhydrase Binding Profile.

Audrius Zakšauskas, Vaida Paketurytė-Latvė, Alberta Janku̅naitė, Edita Čapkauskaitė, Yann Becart, Alexey Smirnov, Klára Pospíšilová, Janis Leitans, Jiří Brynda, Andris Kazaks and 7 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of medicinal chemistry, 2025. 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
–field-weighted citation impact
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.

  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

17 authors.

Audrius ZakšauskasDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Vaida Paketurytė-LatvėDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.ORCID 0000-0003-0919-7826
Alberta Janku̅naitėDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Edita ČapkauskaitėDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Yann BecartDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Alexey SmirnovDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Klára PospíšilováInstitute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo n. 2, Prague 6 16610, Czech Republic.
Janis LeitansLatvian Biomedical Research and Study Centre, Ratsupites 1 k-1, Riga LV-1067, Latvia.
Jiří BryndaInstitute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo n. 2, Prague 6 16610, Czech Republic.
Andris KazaksLatvian Biomedical Research and Study Centre, Ratsupites 1 k-1, Riga LV-1067, Latvia.
Lina BaranauskienėDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.ORCID 0000-0002-9924-9177
Elena ManakovaDepartment of Protein-DNA Interactions, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Saulius GražulisSector of Crystallography and Cheminformatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.
Visvaldas KairysDepartment of Bioinformatics, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio 7, Vilnius LT-10257, Lithuania.ORCID 0000-0002-5427-0175
Kaspars TarsLatvian Biomedical Research and Study Centre, Ratsupites 1 k-1, Riga LV-1067, Latvia.ORCID 0000-0001-8421-9023
Pavlína ŘezáčováInstitute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Flemingovo n. 2, Prague 6 16610, Czech Republic.
Daumantas MatulisDepartment of Biothermodynamics and Drug Design, Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio al. 7, Vilnius LT-10257, Lithuania.ORCID 0000-0002-6178-6276

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Discovery of small-molecule drugs relies on their strong binding affinity compared to nontarget proteins, thus possessing selectivity. Minor chemical structure changes usually exhibit little change in the compound efficacy, with rare exceptions. We developed a series of nearly 50

Indexed as

Carbonic Anhydrase InhibitorsCarbonic AnhydrasesSulfonamidesCrystallography, X-RayHumansIsoenzymesLigandsModels, MolecularMolecular Docking SimulationProtein BindingStructure-Activity RelationshipThermodynamicsCarbonic Anhydrase InhibitorsCarbonic AnhydrasesIsoenzymesLigandsSulfonamides

Identifiers

PMID40801814
PMCPMC12406193

What OpenQuestion holds

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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.