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Article

Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors

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Department of Chemistry, University of Malakand, Lower Dir 18800, Pakistan
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Department of Chemistry, College of Science, University of Bahrain, Sakhir 32038, Bahrain
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Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Korea
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Department of Physics, University of Sargodha, Sargodha 40100, Pakistan
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Institute of Chemical Sciences, University of Swat, Swat 19150, Pakistan
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Department of Pharmacy, University of Malakand, Chakdara, Lower Dir 18800, Pakistan
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Department of Biochemistry, University of Malakand, Lower Dir 18800, Pakistan
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Department of Biochemistry, College of Science, King Saud University, P.O. Box 22452, Riyadh 11451, Saudi Arabia
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Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhour 22511, Egypt
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Author to whom correspondence should be addressed.
Academic Editor: Takashiro Akitsu
Molecules 2021, 26(15), 4506; https://doi.org/10.3390/molecules26154506
Received: 30 May 2021 / Revised: 4 July 2021 / Accepted: 11 July 2021 / Published: 27 July 2021
(This article belongs to the Section Analytical Chemistry)
In this study six unsymmetrical thiourea derivatives, 1-isobutyl-3-cyclohexylthiourea (1), 1-tert-butyl-3-cyclohexylthiourea (2), 1-(3-chlorophenyl)-3-cyclohexylthiourea (3), 1-(1,1-dibutyl)-3-phenylthiourea (4), 1-(2-chlorophenyl)-3-phenylthiourea (5) and 1-(4-chlorophenyl)-3-phenylthiourea (6) were obtained in the laboratory under aerobic conditions. Compounds 3 and 4 are crystalline and their structure was determined for their single crystal. Compounds 3 is monoclinic system with space group P21/n while compound 4 is trigonal, space group R3:H. Compounds (16) were tested for their anti-cholinesterase activity against acetylcholinesterase and butyrylcholinesterase (hereafter abbreviated as, AChE and BChE, respectively). Potentials (all compounds) as sensing probes for determination of deadly toxic metal (mercury) using spectrofluorimetric technique were also investigated. Compound 3 exhibited better enzyme inhibition IC50 values of 50, and 60 µg/mL against AChE and BChE with docking score of −10.01, and −8.04 kJ/mol, respectively. The compound also showed moderate sensitivity during fluorescence studies. View Full-Text
Keywords: thiourea derivatives; enzyme inhibition; docking studies; mercury sensing; X-ray structure thiourea derivatives; enzyme inhibition; docking studies; mercury sensing; X-ray structure
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MDPI and ACS Style

Rahman, F.U.; Bibi, M.; Khan, E.; Shah, A.B.; Muhammad, M.; Tahir, M.N.; Shahzad, A.; Ullah, F.; Zahoor, M.; Alamery, S.; Batiha, G.E.-S. Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors. Molecules 2021, 26, 4506. https://doi.org/10.3390/molecules26154506

AMA Style

Rahman FU, Bibi M, Khan E, Shah AB, Muhammad M, Tahir MN, Shahzad A, Ullah F, Zahoor M, Alamery S, Batiha GE-S. Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors. Molecules. 2021; 26(15):4506. https://doi.org/10.3390/molecules26154506

Chicago/Turabian Style

Rahman, Faizan U., Maryam Bibi, Ezzat Khan, Abdul B. Shah, Mian Muhammad, Muhammad N. Tahir, Adnan Shahzad, Farhat Ullah, Muhammad Zahoor, Salman Alamery, and Gaber E.-S. Batiha 2021. "Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors" Molecules 26, no. 15: 4506. https://doi.org/10.3390/molecules26154506

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