A convenient synthesis, in silico study and crystal structure of novel sulfamidophosphonates: Interaction with SARS-CoV-2

ABSTRACT

A one-pot synthetic strategy was developed for the synthesis of novel sulfamidophosphonates via a three -component Kabachnik-Fields reaction of sulfanilamide, triethyl phosphite, and various aldehyde using ul-trasound irradiation. Seven organophosphorus derivatives were synthesized with high yields through this newly developed method. The target compounds were characterized by 1 H, 31 P, 13 C NMR, and IR. The molecular structure of 4a was obtained by X-ray diffraction on the monocrystal. Crystal belongs to the orthorhombic system with space groups Pbca. Insight into the binding mode of the synthesized com-pounds (ligand) into the binding sites of SARS-CoV2 (PDF code 5R80 ) was provided by docking studies, performed with the help of Maestro 9.0 docking software.(c) 2022 Elsevier B.V. All rights reserved.