Incl3-Catalyzed One-Pot Three-Component Aza-Friedel-Crafts Reactions (AFCR) Of 3-Substituted Indole Derivatives and Its In-Silico Mcl-1 Inhibition Studies

InCl3-catalyzed three-component Aza-Friedel-Crafts reactions of Aldehydes, 4-Aminofluorescein, and indoles in methanol have been developed. The Aza-Friedel-Crafts products could be easily transformed into various 3-substituted indoles including biologically active compounds. This system offers a novel efficient method for the synthesis of 3-substituted indole derivatives in good yields. Further, the molecules are predicted to bind with Induced myeloid leukemia cell differentiation protein Mcl-1 using Extended Connectivity fingerprint ECfp4 NN (ECfp4)+NB (ECfp4). Molecular docking studies with Mcl-1 showed a docking score of -7.8 kcal/mol with two hydrogen bonds and nine hydrophobic contacts by interaction with the R263 hot-spots implying a potential inhibitor against Mcl-1.

Author(s): Rajasekar Mani, Wilson Alphonse Carlton Ranjith, and Rajaretinam Rajesh Kannan

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