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ISSN 1998-9539

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

Kannadasan Sathishkumar,b Amaladoss Nepolraj,a@ Javid A. Malik,c Vasyl Shupeniukd and Manisekar Sathiyaseelana

aDepartment of Chemistry, Annai College of Arts and Science (Affiliated to Bharathidasan University, Trichy), Kumbakonam, Tamilnadu 612503, India

bDepartment of Physics, Annai College of Arts and Science (Affiliated to Bharathidasan University, Trichy), Kumbakonam, Tamilnadu 612503, India

cDepartment of Zoology, Guru Ghasidas Vishwavidyalaya, Bilaspur Chhattisgarh 495001, India

dDepartment of the Environment and Chemical Education, Vasyl Stefanyk Precarpathian National University, Ivano-Frankivsk 76018, Ukraine @Corresponding author E-mail: nepolraj@gmail.com

 

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 char-acterized 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 Au-toDock Vina, and Swiss ADME software were applied to dock the target protein with synthesized compounds.

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