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Please use this identifier to cite or link to this item: http://142.54.178.187:9060/xmlui/handle/123456789/14810
Title: 1,3,5-Thiadiazinane thione derivatives as significant urease inhibitors
Authors: Arshad, Nuzhat
Lateef, Mehreen
Hashim, Jamshed
Anwar, Aisha
Alharthy, Rima D
Azam, Hamza
Iqbal, Anwar
Keywords: Tetrahydro-1,3,5-thiadiazine thiones
urease inhibition
thiourea
molecular docking
drug discovery
Issue Date: 7-May-2022
Publisher: Karachi: Faculty of Pharmacy & Pharmaceutical Sciences, Karachi
Citation: Arshad, N., Lateef, M., Hashim, J., Anwar, A., Alharthy, R. D., Azam, H., & Iqbal, A. (2022). 1, 3, 5-Thiadiazinane thione derivatives as significant urease inhibitors. Pakistan Journal of Pharmaceutical Sciences, 35(3 (Special)), 911-917.
Abstract: We report the promising urease inhibitory activity of four sets of tetrahydro thiadiazine thiones (THTT) namely 3,5-disubstituted tetrahydro-2H-1,3,5-thiadiazine thiones: THTT 5˗8 (set A) having alkyl/aryl substituents at N-3 and N-5 positions; THTT 9˗12 (set B) and THTT 13˗14 (set C) with 3-carboxylic acid derivatives and tetrahydro-2H1,3,5-thiadiazine-6-thione esters 15˗16 (set D). Gratifyingly, all four sets of THTT were recognized as promising inhibitors of urease enzyme. Among 12 tested compounds; THTT 6, 8, 10, 14 and 15 from each set respectively, demonstrated significant urease inhibitory activity with IC50 values between 11.2˗29.8 μM which is mostly found higher than that for thiourea, a standard urease inhibitor with IC50 value of 22.4 μM. Furthermore, compound 7 showed almost the same level of inhibition (IC50 = 22.5 μM) as of standard. In addition, molecular docking study supported the phenomenon that thiadiazinane ring itself is an active pharmacophore that binds through CH2 groups and S atom via carbon-hydrogen/π-sulfur interactions respectively to the active site of the urease enzyme. The optimistic results from this study suggest the use of thiadiazinane skeleton as a guided template for the advancement of new urease inhibitors in drug discovery.
URI: http://142.54.178.187:9060/xmlui/handle/123456789/14810
ISSN: 1011-601X
Appears in Collections:Issue No.3 (Special)

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