Biological activity of synthesized 5-{1-[(4-chlorophenyl)sulfonyl]piperidin-4-yl}-2-mercapto-1,3,4-oxadiazole derivatives demonstrated by in silico and BSA binding studies
Document title: Biological activity of synthesized 5-{1-[(4-chlorophenyl)sulfonyl]piperidin-4-yl}-2-mercapto-1,3,4-oxadiazole derivatives demonstrated by in silico and BSA binding studies
Journal: Brazilian Journal of Pharmaceutical Sciences
Database: PERIÓDICA
System number: 000451296
ISSN: 1984-8250
Authors: 1
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Institutions: 1Government College University, Department of Chemistry, Lahore, Punjab. Pakistán
2The Islamia University of Bahawalpur, Department of Chemistry, Bahawalpur, Punjab. Pakistán
3University of Veterinary and Animal Science, Institute of Pharmaceutical Science, Lahore, Punjab. Pakistán
4Forman Christian College University, Department of Chemistry, Lahore, Punjab. Pakistán
5University of Mauritius, Department of Chemistry, Reduit. Mauricio
6Universiti Teknologi MARA, Faculty of Pharmacy, Bandar Puncak Alam, Selangor Darul Ehsan. Malasia
Year:
Volumen: 56
Country: Brasil
Language: Inglés
Document type: Artículo
Approach: Experimental, aplicado
English abstract We synthesized a series of compounds bearing pharmacologically important 1,3,4-oxadiazole and piperidine moieties. Spectral data analysis by 1H-NMR, 13C-NMR, IR and EI-MS was used to elucidate the structures of the synthesized molecules. Docking studies explained the different types of interaction of the compounds with amino acids, while bovine serum albumin (BSA) binding interactions showed their pharmacological effectiveness. Antibacterial screening of these compounds demonstrated moderate to strong activity against Salmonella typhi and Bacillus subtilis but only weak to moderate activity against the other three bacterial strains tested. Seven compounds were the most active members as acetyl cholinesterase inhibitors. All the compounds presented displayed strong inhibitory activity against urease. Compounds 7l, 7m, 7n, 7o, 7p, 7r, 7u, 7v, 7x and 7v were highly active, with respective IC50 values of 2.14±0.003, 0.63±0.001, 2.17±0.006, 1.13±0.003, 1.21±0.005, 6.28±0.003, 2.39±0.005, 2.15±0.002, 2.26±0.003 and 2.14±0.002 µM, compared to thiourea, used as the reference standard (IC50 = 21.25±0.15 µM). These new urease inhibitors could replace existing drugs after their evaluation in comprehensive in vivo studies
Disciplines: Química
Keyword: Química farmacéutica,
1,3,4-Oxadiazol,
Inhibición enzimática,
Acetilcolinesterasa,
Actividad antibacteriana,
Piperidina,
Sulfonamidas
Keyword: Medicinal chemistry,
1,3,4-Oxadiazole,
Enzymatic inhibition,
Acetylcholinesterase,
Antibacterial activity,
Piperidine,
Sulfonamides
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