{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,17]],"date-time":"2026-10-17T11:01:44Z","timestamp":1792234904720,"version":"4.4.0"},"reference-count":57,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2021,7,27]],"date-time":"2021-07-27T00:00:00Z","timestamp":1627344000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>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 (1\u20136) 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 \u00b5g\/mL against AChE and BChE with docking score of \u221210.01, and \u22128.04 kJ\/mol, respectively. The compound also showed moderate sensitivity during fluorescence studies.<\/jats:p>","DOI":"10.3390\/molecules26154506","type":"journal-article","created":{"date-parts":[[2021,7,27]],"date-time":"2021-07-27T03:53:53Z","timestamp":1627358033000},"page":"4506","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":52,"title":["Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors"],"prefix":"10.3390","volume":"26","author":[{"given":"Faizan Ur","family":"Rahman","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Malakand, Lower Dir 18800, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maryam","family":"Bibi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, University of Bahrain, Sakhir 32038, Bahrain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7849-6083","authenticated-orcid":false,"given":"Ezzat","family":"Khan","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Malakand, Lower Dir 18800, Pakistan"},{"name":"Department of Chemistry, College of Science, University of Bahrain, Sakhir 32038, Bahrain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2918-7556","authenticated-orcid":false,"given":"Abdul Bari","family":"Shah","sequence":"additional","affiliation":[{"name":"Division of Applied Life Science (BK21 Plus), IALS, Gyeongsang National University, Jinju 52828, Korea"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9759-6650","authenticated-orcid":false,"given":"Mian","family":"Muhammad","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Malakand, Lower Dir 18800, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6815-9806","authenticated-orcid":false,"given":"Muhammad Nawaz","family":"Tahir","sequence":"additional","affiliation":[{"name":"Department of Physics, University of Sargodha, Sargodha 40100, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6651-1194","authenticated-orcid":false,"given":"Adnan","family":"Shahzad","sequence":"additional","affiliation":[{"name":"Institute of Chemical Sciences, University of Swat, Swat 19150, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7907-0842","authenticated-orcid":false,"given":"Farhat","family":"Ullah","sequence":"additional","affiliation":[{"name":"Department of Pharmacy, University of Malakand, Chakdara, Lower Dir 18800, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4528-8517","authenticated-orcid":false,"given":"Muhammad","family":"Zahoor","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, University of Malakand, Lower Dir 18800, Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Salman","family":"Alamery","sequence":"additional","affiliation":[{"name":"Department of Biochemistry, College of Science, King Saud University, P.O. Box 22452, Riyadh 11451, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7817-425X","authenticated-orcid":false,"given":"Gaber El-Saber","family":"Batiha","sequence":"additional","affiliation":[{"name":"Department of Pharmacology and Therapeutics, Faculty of Veterinary Medicine, Damanhour University, Damanhour 22511, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,7,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1125","DOI":"10.1007\/s11164-013-1026-2","article-title":"Photochemical synthesis of gold nanoparticles in N, N\u2032-dimethylformamide via thiourea-derivatized polyoxometalate","volume":"40","author":"Hegde","year":"2014","journal-title":"Res. Chem. 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