双核Pt/Pt、Pt/Zn和Pt/cu配合物抗菌活性的评估：来自对接研究的见解

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-04-16 DOI:10.1016/j.ica.2025.122723

Svetlana Jeremić , Violeta Jakovljević , Darko Anđelković , Emilija Pecev-Marinković , Enisa Selimović

{"title":"双核Pt/Pt、Pt/Zn和Pt/cu配合物抗菌活性的评估：来自对接研究的见解","authors":"Svetlana Jeremić , Violeta Jakovljević , Darko Anđelković , Emilija Pecev-Marinković , Enisa Selimović","doi":"10.1016/j.ica.2025.122723","DOIUrl":null,"url":null,"abstract":"<div><div>This study reports the successful synthesis and characterization of four novel dinuclear complexes, D2a, D2b, D2c, and D2d. These complexes incorporate complex [Pt(DMEAImiPr)Cl2] on one side and cisplatin, transplatin, [ZnCl2(terpy)], or [CuCl2(terpy)] on the other, connected by</div><div>4,4′-bipyridine as a bridging ligand. The antimicrobial activity of the complexes was systematically evaluated. The D2a complex demonstrated strong activity against S. aureus ATCC, P. aeruginosa ATCC, and E. faecalis ATCC, while the D2b complex exhibited the highest efficacy in inhibiting E. faecalis ATCC. The D2c complex displayed potent activity across all tested bacterial strains, and the D2d complex showed exceptional inhibitory effects against E. faecalis ATCC. The inhibitory activity of the considered complex compounds to inhibit the gyrases of the mentioned bacterial species, as well as E. coli, was investigated using the molecular docking method. In is shown that all tested compounds can inhibit S. aureus' gyrase even more successfully than the drug Doxycycline, while only complexes D2a and D2b show significant activity against gyrases of other bacterial species. The mechanism of antibacterial action of complex compounds examined in this way indicated agreement between theoretically obtained results and those obtained experimentally.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122723"},"PeriodicalIF":2.7000,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Assessment of the antimicrobial activity of Dinuclear Pt/Pt, Pt/Zn and Pt/cu complexes: Insights from docking studies\",\"authors\":\"Svetlana Jeremić , Violeta Jakovljević , Darko Anđelković , Emilija Pecev-Marinković , Enisa Selimović\",\"doi\":\"10.1016/j.ica.2025.122723\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This study reports the successful synthesis and characterization of four novel dinuclear complexes, D2a, D2b, D2c, and D2d. These complexes incorporate complex [Pt(DMEAImiPr)Cl2] on one side and cisplatin, transplatin, [ZnCl2(terpy)], or [CuCl2(terpy)] on the other, connected by</div><div>4,4′-bipyridine as a bridging ligand. The antimicrobial activity of the complexes was systematically evaluated. The D2a complex demonstrated strong activity against S. aureus ATCC, P. aeruginosa ATCC, and E. faecalis ATCC, while the D2b complex exhibited the highest efficacy in inhibiting E. faecalis ATCC. The D2c complex displayed potent activity across all tested bacterial strains, and the D2d complex showed exceptional inhibitory effects against E. faecalis ATCC. The inhibitory activity of the considered complex compounds to inhibit the gyrases of the mentioned bacterial species, as well as E. coli, was investigated using the molecular docking method. In is shown that all tested compounds can inhibit S. aureus' gyrase even more successfully than the drug Doxycycline, while only complexes D2a and D2b show significant activity against gyrases of other bacterial species. The mechanism of antibacterial action of complex compounds examined in this way indicated agreement between theoretically obtained results and those obtained experimentally.</div></div>\",\"PeriodicalId\":13599,\"journal\":{\"name\":\"Inorganica Chimica Acta\",\"volume\":\"583 \",\"pages\":\"Article 122723\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2025-04-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganica Chimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0020169325001896\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0020169325001896","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}

引用次数: 0

摘要

本研究报告成功合成了四种新型双核配合物 D2a、D2b、D2c 和 D2d，并对其进行了表征。这些配合物一边是[Pt(DMEAImiPr)Cl2]配合物，另一边是顺铂、反铂、[ZnCl2(terpy)]或[CuCl2(terpy)]配合物，并以 4,4′-联吡啶作为桥接配体。对这些配合物的抗菌活性进行了系统评估。D2a 复合物对金黄色葡萄球菌 ATCC、绿脓杆菌 ATCC 和粪大肠杆菌 ATCC 具有很强的活性，而 D2b 复合物对粪大肠杆菌 ATCC 的抑制效果最好。D2c 复合物对所有测试的细菌菌株都有很强的活性，而 D2d 复合物对粪肠球菌 ATCC 的抑制效果尤为明显。利用分子对接法研究了所考虑的复合物对上述细菌种类以及大肠杆菌的回旋酶的抑制活性。结果表明，所有测试化合物都能抑制金黄色葡萄球菌的回旋酶，甚至比多西环素更有效，而只有复合物 D2a 和 D2b 对其他细菌种类的回旋酶具有显著的活性。通过这种方法对复合物的抗菌作用机制进行的研究表明，理论上得出的结果与实验中得出的结果是一致的。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文本刊更多论文

Assessment of the antimicrobial activity of Dinuclear Pt/Pt, Pt/Zn and Pt/cu complexes: Insights from docking studies

This study reports the successful synthesis and characterization of four novel dinuclear complexes, D2a, D2b, D2c, and D2d. These complexes incorporate complex [Pt(DMEAIm^iPr)Cl₂] on one side and cisplatin, transplatin, [ZnCl₂(terpy)], or [CuCl₂(terpy)] on the other, connected by

4,4′-bipyridine as a bridging ligand. The antimicrobial activity of the complexes was systematically evaluated. The D2a complex demonstrated strong activity against S. aureus ATCC, P. aeruginosa ATCC, and E. faecalis ATCC, while the D2b complex exhibited the highest efficacy in inhibiting E. faecalis ATCC. The D2c complex displayed potent activity across all tested bacterial strains, and the D2d complex showed exceptional inhibitory effects against E. faecalis ATCC. The inhibitory activity of the considered complex compounds to inhibit the gyrases of the mentioned bacterial species, as well as E. coli, was investigated using the molecular docking method. In is shown that all tested compounds can inhibit S. aureus' gyrase even more successfully than the drug Doxycycline, while only complexes D2a and D2b show significant activity against gyrases of other bacterial species. The mechanism of antibacterial action of complex compounds examined in this way indicated agreement between theoretically obtained results and those obtained experimentally.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.