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Article

Synthesis, Structural Studies, and Anticancer Properties of [CuBr(PPh3)2(4,6-Dimethyl-2-Thiopyrimidine-κS]

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Department of Chemistry, Faculty of Science, King Abdulaziz University, P.O. Box 80203, Jeddah 21589, Saudi Arabia
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Core Labs, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
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Biological and Environmental Science and Engineering (BESE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia
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Chemistry Department, Deanship of Scientific Research, College of Sciences, Taif University, Al-Haweiah, P.O. Box 11099, Taif 21944, Saudi Arabia
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Department of Chemistry, Faculty of Science, Port Said University, Port Said 42521, Egypt
*
Author to whom correspondence should be addressed.
Academic Editors: Assem Barakat and Alexander S. Novikov
Crystals 2021, 11(6), 688; https://doi.org/10.3390/cryst11060688
Received: 17 May 2021 / Revised: 5 June 2021 / Accepted: 8 June 2021 / Published: 16 June 2021
(This article belongs to the Special Issue New Trends in Crystals at Saudi Arabia)
CuBr(PPh3)2(4,6-dimethylpyrimidine-2-thione) (Cu-L) was synthesized by stirring CuBr(PPh3)3 and 4,6-dimethylpyrimidine-2-thione in dichloromethane. The crystal structure of Cu-L was obtained, and indicated that the complex adopts a distorted tetrahedral structure with several intramolecular hydrogen bonds. Moreover, a centrosymmetric dimer is formed by the intermolecular hydrogen bonding of the bromine acceptor created by symmetry operation 1−x, 1−y, 1−z to the methyl group (D3 = C42) of the pyrimidine–thione ligand. HSA-binding of Cu-L and its ligand were evaluated, revealing that Cu-L binds to HSA differently than its ligand. The HSA-bindings were modeled by molecular docking, which suggested that Cu-L binds to the II A domain while L binds between the I B and II A domains. Anticancer activities toward OVCAR-3 and HeLa cell lines were tested and indicated the significance of the copper center in enhancing the cytotoxic effect; negligible toxicities for L and Cu-L were observed towards a non-cancer cell line. The current study highlights the potential of copper(I)-phosphine complexes containing thione ligands as therapeutic agents. View Full-Text
Keywords: copper(I); thiopyrimidine; phosphine; protein binding; anticancer properties copper(I); thiopyrimidine; phosphine; protein binding; anticancer properties
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MDPI and ACS Style

Babgi, B.A.; Alsayari, J.H.; Davaasuren, B.; Emwas, A.-H.; Jaremko, M.; Abdellattif, M.H.; Hussien, M.A. Synthesis, Structural Studies, and Anticancer Properties of [CuBr(PPh3)2(4,6-Dimethyl-2-Thiopyrimidine-κS]. Crystals 2021, 11, 688. https://doi.org/10.3390/cryst11060688

AMA Style

Babgi BA, Alsayari JH, Davaasuren B, Emwas A-H, Jaremko M, Abdellattif MH, Hussien MA. Synthesis, Structural Studies, and Anticancer Properties of [CuBr(PPh3)2(4,6-Dimethyl-2-Thiopyrimidine-κS]. Crystals. 2021; 11(6):688. https://doi.org/10.3390/cryst11060688

Chicago/Turabian Style

Babgi, Bandar A., Jalal H. Alsayari, Bambar Davaasuren, Abdul-Hamid Emwas, Mariusz Jaremko, Magda H. Abdellattif, and Mostafa A. Hussien 2021. "Synthesis, Structural Studies, and Anticancer Properties of [CuBr(PPh3)2(4,6-Dimethyl-2-Thiopyrimidine-κS]" Crystals 11, no. 6: 688. https://doi.org/10.3390/cryst11060688

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