Synthesis, Antibacterial and Antileishmanial Activity, Cytotoxicity, and Molecular Docking of New Heteroleptic Copper(I) Complexes with Thiourea Ligands and Triphenylphosphine
- Autores: 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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Afiliações:
- 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
- Edição: Volume 88, Nº 3 (2018)
- Páginas: 541-550
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222080
- DOI: https://doi.org/10.1134/S1070363218030246
- ID: 222080
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Resumo
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.
Sobre autores
A. Saeed
Department of Chemistry
Autor responsável pela correspondência
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320
F. Larik
Department of Chemistry
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320
F. Jabeen
Cardiovascular and Metabolic Research Unit
Email: aamersaeed@yahoo.com
Canadá, 935 Ramsey Lake Road, Sudbury, ON P3E 2C6
H. Mehfooz
Department of Chemistry
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320
S. Ghumro
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences
Email: aamersaeed@yahoo.com
Paquistão, Karachi, 75270
H. El-Seedi
Division of Pharmacognosy, Department of Medicinal Chemistry
Email: aamersaeed@yahoo.com
Suécia, Uppsala, SE-751 23
M. Ali
Department of Biological Sciences
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320
P. Channar
Department of Chemistry
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320
H. Ashraf
Department of Chemistry
Email: aamersaeed@yahoo.com
Paquistão, Islamabad, 45320