Evidence map›Paper›PMID 38900333›Full record

ArticleMolecular diversity2025

Towards new bioactive fluorine-containing 1,3,4-oxadiazole-amide derivatives: synthesis, antibacterial activity, molecular docking and molecular dynamics simulation study.

Fei Xiong, Yanjun Zhang, Jinlong Jiao, Yiren Zhu, Tianlu Mo, Yeji Li

Abstract read
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In one paragraph

Article in Molecular diversity, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. Article
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.

Fei Xiong *Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China. fxiong@usst.edu.cn.
Yanjun Zhang *Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China.
Jinlong JiaoSchool of Health Science and Engineering, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China.
Yiren ZhuDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China.
Tianlu MoSchool of Health Science and Engineering, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China. motianlu@usst.edu.cn.
Yeji LiDepartment of Chemistry, University of Shanghai for Science and Technology, Shanghai, 200093, People's Republic of China.

Funding

National Key Research and Development Program of China 2023YFF1103600National Natural Science Foundation of China 81172918, 51707122, 32370092Shanghai Municipal Education Commission SLG14033The open project program of Hubei Key Laboratory of Drug Synthesis and Optimization OPP2014ZD01
6 · The paper itself

Abstract

Through the approach of molecular hybridization, this study rationally designed and synthesized new trifluoromethyl-1,3,4-oxadiazole amide derivatives, denoted as 1a-1n. The findings reveal that these novel molecules exhibit potent inhibitory effects against various bacterial strains. Thereinto, compounds 1c, 1d, 1i, 1j and 1n, demonstrate relatively superior antimicrobial performance against B. cereus FM314, with a minimum inhibitory concentration (MIC) of 0.03907 μg/mL. Molecular docking analysis suggests the potential importance of the Ser57 and Thr125 amino acid residues (PDB ID: 4EI9) in contributing to the inhibitory activity against B. cereus. The consistency of these results was further corroborated through subsequent molecular dynamics simulations and MMPBSA validations. The insights gained from this study serve to facilitate the rational design and efficient development of novel eco-friendly antimicrobial inhibitors based on the trifluoromethyl-1,3,4-oxadiazole amide scaffold.

Indexed as

AmidesAnti-Bacterial AgentsFluorineMolecular Docking SimulationMolecular Dynamics SimulationOxadiazolesMicrobial Sensitivity TestsStructure-Activity Relationship1,3,4-oxadiazoleAmidesAnti-Bacterial AgentsFluorineOxadiazoles1,3,4-OxadiazoleBacillus cereusBiological assaysMD simulationSynthesis

Identifiers

PMID38900333

What OpenQuestion holds

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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.