#JULIA PLING SERIES#

The currently available chemotherapeutic agents. Simplicity of synthesis, and the growing resistance of disease causative agents to Motivated by the diverse pharmacological applications of chalcones, their The synthesis, characterization, various reactions of numerous chalconesĪnd their pharmacological applications have been discussed. Used as inhibitors of lipoxygenase, ꞵ-secretase (BACE1), and acetylcholinesterase They have found applications asĪnticancer, anti-diabetic, anti-HIV, antioxidants, antimalarial, anti-tubercular,Īntiviral, anti-inflammatory and antidiuretic agents. Pharmacologically active compounds that are also described as 1,3-ĭiphenylprop-2-en-1-one derivatives. Over the last two decades, chalcones haveīeen proved to be attractive moieties in drug discovery. The resurgence of several infections and the increased resistance of fungi toĪvailable chemotherapeutic agents are the essential issues in drug design andĭevelopment, which prompted researchers to look for novel compounds that canĬombat multidrug-resistant organisms. The shortage of novel antifungal drugs, the emergence of new infectious diseases, All compounds showed very good urease‐inhibitory potential (IC50 = 16.16–105.32 µM) when compared with the standard inhibitor acetohydroxamic acid (~320.70 µM).

#JULIA PLING SERIES#

A series of novel benzothiazole derivatives containing the 1,2,4‐oxadiazole ring, carbonyl, or oxime groups were synthesized by the reaction of 2‐aminothiophenol with different kinds of intermediates in several steps using both conventional and microwave techniques. Further, 100 ‐ns molecular dynamics simulations were performed to investigate the stability and structural perturbations experienced by the most potent compound over the urease active site. The binding interactions of the compounds with the enzyme were confirmed through molecular docking. The structure–activity relationship was established in detail.

All compounds were found to have an excellent degree of urease‐inhibitory potential ranging between 16.16 ± 0.54 and 105.32 ± 2.10 µM when compared with the standard inhibitor acetohydroxamic acid with IC50 = 320.70 ± 4.24 µM.

The title compounds in the two series, namely, 2‐(thio)‐1‐(4‐substituted‐phenyl)ethan‐1‐one and 2‐(benzothiazol‐2‐ylthio)‐1‐(4‐substituted‐phenyl)ethan‐1‐one oxime, were synthesized by the reaction of benzothiazole‐2‐thiol with different kinds of intermediates in several steps using both conventional and microwave techniques.

The synthesis, in silico molecular docking, and in vitro urease inhibition studies of a novel series of benzothiazole derivatives are reported.

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