Evidence map›Paper›PMID 42082566›Full record

ArticleScientific reports2026

In Vitro antileishmanial evaluation, molecular docking, dynamics simulations, and DFT Studies of tetrahydropyridine derivatives as potential trypanothione reductase inhibitors.

Elaheh Ataollahi, Razieh Sabet, Gholamreza Hatam, Alireza Poustforoosh, Nazi Dastkhosh, Atefe Omidi, Aida Solhjoo, Leila Zamani, Leila Emami, Soghra Khabnadideh

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific reports, 2026. 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

10 authors.

Elaheh AtaollahiPharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
Razieh SabetDepartment of Medicinal Chemistry, Faculty of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Gholamreza HatamDepartment of Parasitology and Mycology, School of Medicine, Shiraz University of Medical Sciences, Shiraz, Iran.
Alireza PoustforooshMedicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
Nazi DastkhoshStudent Research Committee, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Atefe OmidiStudent Research Committee, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Aida SolhjooDepartment of Quality Control of Drug Products, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Leila ZamaniPharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
Leila EmamiPharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran. emamil@sums.ac.ir.
Soghra KhabnadidehPharmaceutical Sciences Research Center, Shiraz University of Medical Sciences, Shiraz, Iran. khabns@sums.ac.ir.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Leishmaniasis, a neglected tropical disease caused by Leishmania parasites, lacks safe and effective treatments due to drug resistance and toxicity. This study introduces novel tetrahydropyridine (THP) derivatives as potential inhibitors of trypanothione reductase (TR), a unique redox enzyme essential for parasite survival. Eight THP analogs were synthesized and screened for antileishmanial activity against Leishmania major promastigotes (strain MRHO/IR/75/ER) using the MTT assay, revealing compound A5 as the most potent (IC

Indexed as

Antiprotozoal AgentsEnzyme InhibitorsLeishmania majorNADH, NADPH OxidoreductasesPyridinesAnimalsDensity Functional TheoryHumansMacrophagesMiceMolecular Docking SimulationMolecular Dynamics SimulationStructure-Activity RelationshipAntiprotozoal AgentsEnzyme InhibitorsNADH, NADPH OxidoreductasesPyridinestrypanothione reductaseADME profilingDensity functional theoryLeishmaniasisMolecular dockingMolecular dynamics simulationTetrahydropyridine derivativesTrypanothione reductase

Identifiers

PMID42082566
PMCPMC13328655

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.