Evidence map›Paper›PMID 41114213›Full record

ArticleACS omega2025

Conformational Dynamics, Isomerization, and Biological Activity of Acridine-Thiazolidinone Hybrids: A Combined Experimental and Theoretical Study.

Tomáš Ján Liška, Ladislav Janovec, Radka Michalková, Ivan Potočňák, Erika Samolova, Monika Tvrdoňová, Slávka Bekešová, Michal Gramblička, Zuzana Kudličková, Lukáš Trizna and 3 more

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Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
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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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

13 authors.

Tomáš Ján LiškaNMR Laboratory, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.ORCID https://orcid.org/0009-0007-8179-1316
Ladislav JanovecDepartment of Organic Chemistry, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.
Radka MichalkováDepartment of Pharmacology, Faculty of Medicine, P. J. Šafárik University, Trieda SNP 1, 040 01 Košice, Slovak Republic.
Ivan PotočňákDepartment of Inorganic Chemistry, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.
Erika SamolovaInstitute of Physics of the Czech Academy of Science, Na Slovance 2, CZ-182 21, Prague, Czech Republic.
Monika TvrdoňováDepartment of Organic Chemistry, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.ORCID https://orcid.org/0000-0002-9244-7242
Slávka BekešováThermo Fisher Scientific, Mlynské Nivy 5, 821 09 Bratislava, Slovakia.
Michal GrambličkaThermo Fisher Scientific, Mlynské Nivy 5, 821 09 Bratislava, Slovakia.
Zuzana KudličkováNMR Laboratory, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.
Lukáš TriznaDepartment of Biochemistry, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.
Danica SabolováDepartment of Biochemistry, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.
Ján MojžišDepartment of Pharmacology, Faculty of Medicine, P. J. Šafárik University, Trieda SNP 1, 040 01 Košice, Slovak Republic.
Mária VilkováNMR Laboratory, Institute of Chemistry, Faculty of Science, P. J. Šafárik University, Moyzesova 11, 040 01 Košice, Slovak Republic.ORCID https://orcid.org/0000-0003-2833-7361

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A new series of acridin-4-yl-based thiazolidinone derivatives was synthesized and structurally characterized using NMR, IR, HRMS, and single-crystal X-ray diffraction. NMR analysis in solution revealed signal multiplicity suggestive of isomeric or conformational heterogeneity. To investigate this behavior, we employed GFN2-xTB, DFT (PBE0-D4 and revDSD-PBEP86-D4), and ab initio molecular dynamics simulations. Theoretical results indicated a preference for nonplanar conformers due to steric hindrance and internal rotations, in agreement with experimental NMR and crystallographic data. Conformational searches and NMR prediction further supported the predominance of

Identifiers

PMID41114213
PMCPMC12529137

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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.