Evidence map›Paper›PMID 39511124›Full record

ArticleMolecular diversity2025

Studies on the synthesis, crystal structures, biological activities and molecular docking of novel natural methylxanthine derivatives containing piperazine moiety.

Wenqi Fan, Shuyun Zhang, Na Yang, Yonghong Li, Xiao Zhang, Congwei Niu, Xinghai Liu, Baolei Wang

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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 1 paper.

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0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

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2 · The registry

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3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

8 authors.

Wenqi Fan *State Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Shuyun Zhang *State Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Na YangState Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Yonghong LiState Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Xiao ZhangState Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Congwei NiuState Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Xinghai LiuCollege of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China. xhliu@zjut.edu.cn.
Baolei WangState Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China. nkwbl@nankai.edu.cn.

Funding

National Natural Science Foundation of China 21772103National Natural Science Foundation of China 22077070Zhejiang Provincial Natural Science Foundation of China LTGN23C140002Zhejiang Provincial Natural Science Foundation of China LY19C140002
6 · The paper itself

Abstract

A series of novel methylxanthine Mannich base derivatives containing substituted piperazine groups were synthesized through Mannich reaction. The structures of these new compounds were confirmed by NMR, HRMS or elemental analyses, and X-ray single crystal diffraction. Bioassay results showed that some of the compounds exhibit favorable fungicidal and insecticidal potentials. Particularly, compounds IIk, IIq, IIs and compounds If, IIk against Physalospora piricola and Rhizoctonia cerealis, respectively, were comparable with Azoxystrobin and Chlorothalonil; compound Ik exhibited higher potency than Triflumuron against Plutella xylostella L., suggesting its potential as a lead compound for further development in insecticidal applications. Despite possessing weak herbicidal activities, the target compounds, especially the methylxanthine S-Mannich base derivatives I displayed remarkable inhibitory activities toward ketol-acid reductoisomerase (KARI); compounds Ib, If, and Ik which had K

Indexed as

Molecular Docking SimulationPiperazinePiperazinesXanthinesAnimalsAntifungal AgentsCrystallography, X-RayInsecticidesMolecular StructureStructure-Activity RelationshipAntifungal AgentsInsecticidesPiperazinePiperazinesXanthinesFungicidal activityInsecticidal activityMannich baseMethylxanthine derivativeSARSynthesis

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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.