Synthesis, Characterization, ADMET prediction, and Molecular Docking Studies of Novel Coumarin Sulfonate Derivatives

Abstract

It was depicted that the coumarin sulfonate derivatives were synthesized and reported tyrosinase and pancreatic lipase inhibitory effects in silico application. In addition, the coumarin compounds were designed by introducing a sulfonyl group bearing functional groups such as nitro, methoxy, chlorine, methyl, and bearing naphthyl and thiophenyl motifs. The characterizations of the coumarin sulfonate derivatives were carried out utilizing 1H NMR, 13C NMR, and HRMS analyses. Also, pancreatic lipase and tyrosinase inhibitory activities in silico application of the coumarin sulfonate compounds were studied using AutoDock Vina and Chimera software. Moreover, the absorption, distribution, metabolism, excretion, and toxicity properties of the coumarin sulfonate derivatives were performed to explore the properties of target compounds using the preADMET program. Overall, these results exhibited that compound 2c could accomplish as a potential pancreatic lipase inhibitory.

Keywords

• Coumarin sulfonate compounds
• tyrosinase
• pancreatic lipase
• molecular docking
• ADMET

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