Experimental and DFT Approaches to Physico-Chemical Properties of Bioactive Resveratrol Analogues.

Borislav Kovačević, Ivana Šagud, Katarina Marija Drmić, Milena Mlakić, Irena Škorić, Sandra Babić

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. 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

–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

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

6 authors.

Borislav KovačevićGroup for Computational Life Sciences, Division of Physical Chemistry, Ruđer Bošković Institute, Bijenička cesta 54, HR-10 000 Zagreb, Croatia.ORCID 0000-0002-8000-4508

Ivana ŠagudCroatian Agency for Medicinal Products and Medical Devices, Ksaverska cesta 4, HR-10 000 Zagreb, Croatia.ORCID 0000-0003-4410-3602

Katarina Marija DrmićDepartment of Analytical Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Marulićev trg 19, HR-10 000 Zagreb, Croatia.

Milena MlakićDepartment of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Marulićev trg 19, HR-10 000 Zagreb, Croatia.ORCID 0000-0001-8371-4946

Irena ŠkorićDepartment of Organic Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Marulićev trg 19, HR-10 000 Zagreb, Croatia.ORCID 0000-0002-1563-7261

Sandra BabićDepartment of Analytical Chemistry, Faculty of Chemical Engineering and Technology, University of Zagreb, Marulićev trg 19, HR-10 000 Zagreb, Croatia.ORCID 0000-0001-5296-0810

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Acetylcholinesterase and butyrylcholinesterase are two related enzymes that represent pharmacologically suitable targets in neurodegenerative disorders, given their physiological roles in the body. The treatment of neurodegenerative disorders currently includes common reversible cholinesterase inhibitors. Resveratrol analogues, as the molecules in focus, have shown the very strong inhibition potential of cholinesterases. In this research, experimental and DFT approaches for their p

Indexed as

AcetylcholinesteraseButyrylcholinesteraseDensity Functional TheoryResveratrolCatalytic DomainCholinesterase InhibitorsHumansHydrogen BondingModels, MolecularMolecular Docking SimulationMolecular StructureAcetylcholinesteraseButyrylcholinesteraseCholinesterase InhibitorsResveratrolADMETDFT studyhydrogen bond aciditypKa valuesresveratrol analogues

Identifiers

PMID39598870

DOI10.3390/molecules29225481

PMCPMC11597387

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.