Nazari Montazer, Mohammad; Asadi, Mehdi; Bahadorikhalili, Saeed; Hosseini, Faezeh Sadat; Amanlou, Arash; Biglar, Mahmood; Amanlou, Massoud published the artcile< Design, synthesis, docking study and urease inhibitory activity evaluation of novel 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-arylacetamide derivatives>, SDS of cas: 3959-07-7, the main research area is amino thiadiazolylthio arylacetamide preparation docking pharmacokinetic urease inhibitor.
Novel 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-arylacetamide derivatives I [R = 4-MeOC6H4, 4-methylisoxazol-3-yl, 5-chloro-2-pyridyl, etc.] were designed, synthesized and evaluated in vitro for their urease inhibitor activities. The compounds were synthesized efficiently in three steps in high isolated yields from amines, 2-chloroacetyl chloride, hydrazinecarbothioamide and carbon disulfide. The mol. docking simulation were performed using AutoDock4 by docking all synthesized compound and standard inhibitors into the crystal structure of Jack bean urease. Comparison between the urease inhibitory activity of compounds with the IC50 of (2.85-5.83μM) and thiourea and hydroxyurea as standards inhibitors with the IC50 of (22.00 and 100.00μM, resp.) proved the high activity of the synthesized compounds against the mentioned enzyme. Docking results were in good agreement with exptl. results and indicate that synthesized compounds could interact well with the active site of the urease enzyme and among all; compound I [R = 5-methyl-2-pyridyl] showed more favorable interactions with the active site which confirm its great inhibitory activity with IC50 of 2.85μM. Therefore, compound I [R = 5-methyl-2-pyridyl] might be a promising candidate for further evaluation.
Medicinal Chemistry Research published new progress about Acetamides Role: PAC (Pharmacological Activity), PKT (Pharmacokinetics), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, SDS of cas: 3959-07-7.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary