An efficient synthesis of 1,3-dimethyl-5-(2-phenyl-4H-chromen-4-ylidene) pyrimidine-2,4,6(1H,3H,5H)-triones and investigation of their interactions with β-lactoglobiulin

Abstract

An efficient method for synthesis of 1,3-dimethyl-5-(2-phenyl-4H-chromen-4-ylidene)pyrimidine-2,4,6(1H,3H,5H)-triones has been developed.

In Silico Fight Against Novel Coronavirus by Finding Chromone Derivatives as Inhibitor of Coronavirus Main Proteases Enzyme

“…This molecular detail helps to predict how much they are potential to take part in chemical reaction and to realize their mechanism of interactions. The high potential energy regions are electron poor (blue) and the low potential parts having correspondingly low potential energy (Red) and the neutral region is green [21].…”

Facile Synthesis of a New Class of Pyrazolone Attached Chromene Derivatives Showing Good Binding with β‐Lactoglobulin

“…β ‐Lactoglobulin ( β ‐lg), a carrier protein, is one of the main lipocalin proteins of whey. Its binding properties with varieties of organic molecules have been the subject of study on several occasions ,. This aspect encouraged us to explore the binding of the compounds of series 4 , all of which are new, with β ‐lg.…”

“…This aspect encouraged us to explore the binding of the compounds of series 4 , all of which are new, with β ‐lg. The presence or absence of interaction was investigated by study of fluorescence spectra resulting from gradual addition of 4 to the protein in 5% aqueous ethanolic phosphate buffer (pH=7.4) ,. It was observed that the fluorescence intensity of β ‐lg at 337 nm decreased in the presence of increasing concentrations of 4 at pH 7.4.…”

“…The theoretical study molecular docking is effectively used to get an idea about the site and mode of interaction of small molecules with bio‐macromolecules such as proteins, DNA etc . All the synthesized compounds of the series 4 contain five aromatic rings of which two are heterocyclic.…”

In silico fight against novel coronavirus by finding chromone derivatives as inhibitor of coronavirus main proteases enzyme

“…This molecular detail helps to predict how much they are potential to take part in chemical reaction and to realise their mechanism of interactions. In addition to this, the surfaces provide the lower limit of the proximity of two molecules which describe the steric feature of the molecule [24]. Therefore, the quantum mechanically calculated properties of an energy minimised molecular geometry help to understand the steric, electronic feature and nature of binding forces of molecules.…”