Evidence map›Paper›PMID 42449195›Full record

ArticleChemistry & biodiversity2026

In Silico Rational Design of Novel 1,3,4-Oxadiazole Thioether Derivatives for the Discovery of Xanthomonas oryzae Inhibitors.

Jie Zhong, Huiying Jiang, Junjie Zhan, Zhenyu Zhang, Jiawei Chen, Zhonghua Wang, Fei Xiong

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Chemistry & biodiversity, 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.

Jie ZhongDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.
Huiying JiangDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.
Junjie ZhanDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.
Zhenyu ZhangDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.
Jiawei ChenDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.
Zhonghua WangSchool of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, P. R. China.
Fei XiongDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, P. R. China.ORCID https://orcid.org/0000-0002-1140-994X

Funding

Jing Chu University of Technology OPP2014ZD01National Natural Science Foundation of China 81172918Shanghai Municipal Education Commission SLG14033
6 · The paper itself

Abstract

A series of newly designed 1,3,4-oxadiazole derivatives demonstrated highly effective inhibitors against Xanthomonas oryzae pv. oryzae (Xoo) and exhibited significant antiviral and anti-biofilm properties. To further explore the structure-activity relationships of these compounds and develop novel molecules with higher activity, this study systematically analyzed the relationship between the structure and activity of a series of 1,3,4-oxadiazole compounds using computational methods including 3D-QSAR, molecular docking, and molecular dynamics simulations. Based on a dataset containing 39 compounds, two reliable 3D-QSAR statistical models were established: CoMFA (q

Indexed as

Anti-Bacterial AgentsDrug DesignDrug DiscoveryOxadiazolesSulfidesXanthomonasMicrobial Sensitivity TestsMolecular Docking SimulationMolecular Dynamics SimulationMolecular StructureQuantitative Structure-Activity Relationship1,3,4-oxadiazoleAnti-Bacterial AgentsOxadiazolesSulfides1,3,4‐oxadiazole3D‐QSARanti‐XooMD simulationrational drug design

Identifiers

PMID42449195
PMCPMC13369401

What Socratic holds

Textmetadata
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 Socratic graph.