Design, Synthesis and Molecular Docking Studies of Indolo[2,3-a]Acridinol Derivatives

Abstract

A study of the synthesis of an indolo [2,3-a]acridinol derivative using the Claisen ester condensation reaction resulted in the discovery of inexpensive and user-friendly solvents. Structures of the newly synthesized compounds were characterized by FT-IR, 1 H NMR, 13 C NMR, and HRMS analyses. Docking studies showed a strong affinity of indolo [2,3a]acridinol towards prostate cancer-related proteins. The binding affinity closer to 10 kcal/mol indicated effective binding. Indolo[2,acridinol showed strong binding affinities towards protein androgen receptors such as 1GS4, 1T7R, 2AX8, and 3B66 indicating its potential role in protein kinase inhibition. The programs, AutoDock 4 and Au-toDock Vina, and Swiss ADME software were applied to dock the target protein with synthesized compounds.

Unravelling the synthetic and therapeutic aspects of five, six and fused heterocycles using Vilsmeier–Haack reagent

“…In 2016, Sathiyaseelan et al 52 synthesized 3-phenyl-1-(3-phenylquinolin-2-yl)-1 H -pyrazole-4-carbaldehyde from 3-phenyl-2-(2-(1-phenylethylidene)hydrazinyl)quinoline using V. H. reagent (DMF-POCl 3 ) with stirring in ice-bath, later at room temperature for 15 minutes followed by heating the reaction mixture at water bath for 17 hours, in good yield. The utilization of cost-effective precursors, coupled with simplified work-up procedures, constitutes a significant synthetic approach for the synthesis of formyl pyrazoles ( Scheme 17 ).…”