Synthesis of novel xanthene based analogues: Their optical properties, jack bean urease inhibition and molecular modelling studies

摘要

In this work, a series of the rhodamine 6G based derivatives 5a-5g were synthesized. The structural framework of the synthesized compounds was established by using H-1 NMR, C-13 NMR, FT-IR, and LC-MS analytical methods. The spectroscopic properties of the target compounds were determined by using absorption and fluorescence study in four different solvents. Furthermore, the synthesized derivatives were assessed for in-vitro screening against jack bean urease inhibition and in-silico molecular docking study. The result reveals that all the compounds exhibit good urease inhibitory activity against this enzyme but among the series, the compound Sa & 5c with an IC50 values of 0.1108 +/- 0.0038 mu M and 0.1136 +/- 0.0295 mu M shows to be most auspicious inhibitory activity compared to a standard drug (Thiourea) having IC50 value 4.7201 +/- 0.0546 mu M. Subsequently, the molecular docking experiment was analysed to distinguish the enzyme-inhibitor binding interaction. (C) 2020 Elsevier B.V. All rights reserved.