ABSTRACT

Novel Diaryl urea-pyridine hybrids (R1-R9) were synthesized using Pyridine-4-carboxylic acid, 4-amino thiophenol and 4-Chloro-3-(trifluoromethyl) aniline as starting materials by a multi-step process to afford Diaryl urea derivatives (R1-R9) in good yields. The synthesized compounds were docked in the crystal structure of Raf Kinase (PDB ID: 4DBN) to get insights into structural requirements for anticancer activity. In vitro anticancer activity against MCF-7 cell line showed that compounds R4 and R9 were found to be the most potent (Docking score: -13.1; MIC = 17.45 ?g/mL) among the synthesized molecules. All the synthesized compounds showed acceptable drug-like properties which make them suitable for further lead modification using in silico design approaches. Keywords: Diaryl urea, Pyridine, 4DBN, MCF-7, Molecular docking, Drug likeness
Publication date: 01/03/2023

https://ijbpas.com/pdf/2023/March/MS_IJBPAS_2023_6956.pdf

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https://doi.org/10.31032/IJBPAS/2023/12.3.6956