One-pot synthesis and in silico ADME profiling of 1,4-dihydropyridine derivatives catalyzed by ProMSA ionic liquid under solvent-free conditions

Abstract An efficient and convenient method has been developed for the one-pot, four-component synthesis of 1,4-dihydropyridine derivatives. The protocol involves the reaction of aromatic aldehydes, β-keto esters, and ammonium acetate catalyzed by ProMSA, a Brønsted acidic amino acid ionic liquid (AAIL), under solvent-free conditions. This methodology offers several advantages, including the use of an inexpensive, easily prepared, and recyclable catalyst; a simple experimental procedure; and a green and safer reaction profile. The desired products were obtained in excellent yields with high purity following a straightforward workup and within short reaction times. Furthermore, in silico ADME study of all synthesized compounds was conducted. The results indicate that all derivatives obey Lipinski's rule of five, as well as the Ghose filter, Egan, and Muegge rules, suggesting favorable physicochemical properties, good oral bioavailability potential, and suitability for advanced pharmacokinetic investigations.