Design, synthesis and molecular docking studies of indolo[2,3-a]acridinol derivatives
Аннотация
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, 1H NMR, 13C NMR, and HRMS analyses. Docking studies showed a strong affinity of indolo[2,3-a]acridinol towards prostate cancer-related proteins. The binding affinity closer to 10 kcal/mol indicated effective binding. Indolo[2,3-a]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 AutoDock Vina, and Swiss ADME software were applied to dock the target protein with synthesized compounds.
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