De Novo Generation-Based Design of Potential Computational Hits Targeting the GluN1-GluN2A Receptor.

Yibo Liu, Zhijiang Yang, Yixuan Guo, Tengxin Huang, Li Pan, Junjie Ding, Weifu Dong

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 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

7 authors.

Yibo LiuSchool of Chemical and Material Engineering, Jiangnan University, Wuxi 214000, China.ORCID 0009-0007-9472-6775

Zhijiang YangState Key Laboratory of Chemistry for NBC Hazards Protection, Beijing 102205, China.

Yixuan GuoState Key Laboratory of Chemistry for NBC Hazards Protection, Beijing 102205, China.

Tengxin HuangState Key Laboratory of Chemistry for NBC Hazards Protection, Beijing 102205, China.

Li PanState Key Laboratory of Chemistry for NBC Hazards Protection, Beijing 102205, China.

Junjie DingState Key Laboratory of Chemistry for NBC Hazards Protection, Beijing 102205, China.ORCID 0000-0003-1900-6480

Weifu DongSchool of Chemical and Material Engineering, Jiangnan University, Wuxi 214000, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Central nervous system (CNS) disorders such as depression severely impair human health. Targeted inhibition of the GluN1-GluN2A receptor is a promising therapeutic strategy, but current drugs often have adverse effects. To develop novel candidate drugs, this study utilized the (S)-ketamine and GluN1-GluN2A receptor complex as a structural template and conducted de novo drug design with the DrugFlow platform. An integrated strategy of molecular docking-based virtual screening combined with high-throughput binding free energy (∆G

Indexed as

Drug DesignReceptors, N-Methyl-D-AspartateHumansKetamineMolecular Docking SimulationMolecular Dynamics SimulationProtein BindingKetamineReceptors, N-Methyl-D-Aspartatede novo molecular generationelectrophysiologyGluN1-GluN2A receptor antagonistsmechanism of action simulationorganic synthesisvirtual screening

Identifiers

PMID41683499

DOI10.3390/molecules31030522

PMCPMC12900030

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.