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新型镍(II)和锌(II)与(E)-2-((5-溴噻唑-2-基)亚氨基)甲基)苯酚配体配合物的抗菌活性:合成、表征及分子对接研究

Antimicrobial Activity of Novel Ni(II) and Zn(II) Complexes with (E)-2-((5-Bromothiazol-2-yl)imino)methyl)phenol Ligand: Synthesis, Characterization and Molecular Docking Studies.

作者信息

Al-Qadsy Inas, Saeed Waseem Sharaf, Al-Owais Ahmad Abdulaziz, Semlali Abdelhabib, Alrabie Ali, Al-Faqeeh Lena Ahmed Saleh, ALSaeedy Mohammed, Al-Adhreai Arwa, Al-Odayni Abdel-Basit, Farooqui Mazahar

机构信息

Chemistry Department, Maulana Azad College of Arts, Science and Commerce, Aurangabad 431001, India.

Department of Restorative Dental Sciences, College of Dentistry, King Saud University, P.O. Box 60169, Riyadh 11545, Saudi Arabia.

出版信息

Antibiotics (Basel). 2023 Nov 17;12(11):1634. doi: 10.3390/antibiotics12111634.

DOI:10.3390/antibiotics12111634
PMID:37998835
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10669075/
Abstract

In order to address the challenges associated with antibiotic resistance by bacteria, two new complexes, Ni(II) and Zn(II), have been synthesized using the conventional method based on Schiff base ligand (E)-2-((5-bromothiazol-2-yl) imino) methyl) phenol. The Schiff base ligand (HL) was synthesized using salicylaldehyde and 5-(4-bromophenyl)thiazol-2-amine in both traditional and efficient, ecologically friendly, microwave-assisted procedures. The ligand and its complexes were evaluated by elemental analyses, FTIR spectroscopy, UV-Vis spectroscopy, nuclear magnetic resonance (NMR), thermogravimetric analysis (TGA) and magnetic susceptibility. The ligand and its complexes were tested for antibacterial activity against three Gram-positive bacteria ( ATCC 25923, ATCC 43300 and ATCC 29212) and three Gram-negative bacteria ( ATCC 27853, ATCC 25922 and ATCC 700603). The findings demonstrate the potent activity of the ligand and its complexes against selective bacteria but the Ni(II) complex with MIC values ranging from 1.95 to 7.81 µg/mL outperformed all other compounds, including the widely used antibiotic Streptomycin. Furthermore, the docking study provided evidence supporting the validity of the antimicrobial results, since the Ni complex showed superior binding affinity against to NAD synthetase, which had a docking score (-7.61 kcal/mol).

摘要

为应对细菌耐药性带来的挑战,基于席夫碱配体(E)-2-((5-溴噻唑-2-基)亚氨基)甲基)苯酚,采用传统方法合成了两种新的配合物,即镍(II)和锌(II)配合物。席夫碱配体(HL)通过水杨醛和5-(4-溴苯基)噻唑-2-胺,分别采用传统方法以及高效、环保的微波辅助方法合成。通过元素分析、傅里叶变换红外光谱(FTIR)、紫外可见光谱(UV-Vis)、核磁共振(NMR)、热重分析(TGA)和磁化率对配体及其配合物进行了评估。测试了配体及其配合物对三种革兰氏阳性菌(ATCC 25923、ATCC 43300和ATCC 29212)和三种革兰氏阴性菌(ATCC 27853、ATCC 25922和ATCC 700603)的抗菌活性。研究结果表明,配体及其配合物对特定细菌具有较强的活性,但最低抑菌浓度(MIC)值在1.95至7.81 µg/mL之间的镍(II)配合物优于所有其他化合物,包括广泛使用的抗生素链霉素。此外,对接研究为抗菌结果的有效性提供了证据,因为镍配合物对NAD合成酶显示出更高的结合亲和力,其对接分数为(-7.61 kcal/mol)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/16a67cec77af/antibiotics-12-01634-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/4fd176c7da86/antibiotics-12-01634-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/14baa4f6dfe6/antibiotics-12-01634-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/16a67cec77af/antibiotics-12-01634-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/4fd176c7da86/antibiotics-12-01634-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/14baa4f6dfe6/antibiotics-12-01634-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1468/10669075/16a67cec77af/antibiotics-12-01634-sch002.jpg

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