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 Sathiyaseelan^a

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

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