Synthesis, Antibacterial and Antileishmanial Activity, Cytotoxicity, and Molecular Docking of New Heteroleptic Copper(I) Complexes with Thiourea Ligands and Triphenylphosphine
- 作者: Saeed A.1, Larik F.1, Jabeen F.2, Mehfooz H.1, Ghumro S.3, El-Seedi H.4, Ali M.5, Channar P.1, Ashraf H.1
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隶属关系:
- Department of Chemistry
- Cardiovascular and Metabolic Research Unit
- H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences
- Division of Pharmacognosy, Department of Medicinal Chemistry
- Department of Biological Sciences
- 期: 卷 88, 编号 3 (2018)
- 页面: 541-550
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222080
- DOI: https://doi.org/10.1134/S1070363218030246
- ID: 222080
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详细
A series of copper(I) complexes with triphenylphosphine and N-acyl-N′-arylthioureas were synthesized and characterized by elemental analysis and IR and NMR (1H, 13C, 31P) spectroscopy. The thiourea ligands and their copper(I) triphenylphosphine complexes were screened for antibacterial and antileishmanial activities and cytotoxicity. The synthesized compounds showed much better activity as compared to glucantime and Kanamycin used as reference drugs. The thiourea ligands showed better activity than their Cu(I) complexes. The molecular docking technique was utilized to ascertain the mechanism of action toward molecular targets (GP63 and 16S-rRNA A-site). It was found that the ligands and complexes were stabilized at the active site by electrostatic and hydrophobic forces, consistent with the corresponding experimental results. The in silico study of the binding pattern predicted that one of the synthesized ligands, N-(5-chloro-2-nitrophenyl)-N′- pentanoylthiourea, can serve as a potential surrogate for hit-to-lead generation and design of novel antibacterial and antileishmanial agents.
作者简介
A. Saeed
Department of Chemistry
编辑信件的主要联系方式.
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
F. Larik
Department of Chemistry
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
F. Jabeen
Cardiovascular and Metabolic Research Unit
Email: aamersaeed@yahoo.com
加拿大, 935 Ramsey Lake Road, Sudbury, ON P3E 2C6
H. Mehfooz
Department of Chemistry
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
S. Ghumro
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences
Email: aamersaeed@yahoo.com
巴基斯坦, Karachi, 75270
H. El-Seedi
Division of Pharmacognosy, Department of Medicinal Chemistry
Email: aamersaeed@yahoo.com
瑞典, Uppsala, SE-751 23
M. Ali
Department of Biological Sciences
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
P. Channar
Department of Chemistry
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
H. Ashraf
Department of Chemistry
Email: aamersaeed@yahoo.com
巴基斯坦, Islamabad, 45320
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