Química medicinal

Synthesis, Characterization and Docking Studies of 4, 4’-Diaminotriphenylmethanes (DATPMs)

Abstract

Azhar Hussain Shah, Farukh Jabeen, Muhammad Zafar Irshad Khan, Ihsan-ul Haq and Humaira M Siddiqi

DATPMs were synthesized by the acid-catalysed Baeyer condensation of 4-substituted benzaldehydes and aniline in good yields. The materials were purified by column chromatography and characterized by FTIR, 1H-13CNMR and elemental analysis. The optimized ligands were docked with the IKKα, (PDB code: 3BRT) using the MOE-Dock module and are found to obey Lipinski’s Ro5 cut-off limits. The computational results revealed that the DATPMs, like other derivatives of TPM, could be potential anticancer drugs. Moderate protein kinase inhibitory activity was exhibited by samples 2 and 3 by displaying inhibition bald zone of 10 and 9 mm respectively against the Streptomyces 85E strain.