Detergent Properties of Coconut Oil Derived N-Acyl Prolinate Surfactant and the in silico Studies on its Effectiveness against SARS-CoV-2 (COVID-19)

Abstract

In this work, we report the application of coconut oil derived Nacyl prolinate surfactant as a potential ingredient in laundry detergent formulation using biological, physicochemical and molecular docking approach. The properties of the sodium cocyl prolinate surfactant 2 were compared with those of sodium cocoate surfactant 1, a sodium salt of fatty acids from coconut oil, as well as the conventional surfactant sodium dodecyl sulphate (SDS) which is commonly used in the detergent industry. Sodium cocyl prolinate surfactant 2 showed a lower foaming ability compared to SDS and was found to exert a better detergency at a much lower temperature (258C) compared to surfactant 1 and SDS. The coconut oil based surfactants 1 and 2 displayed a better antibacterial activity against gram positive strains compared to SDS. In view of studying the effectiveness of the surfactants against the severe acute respiratory syndrome corona virus 2, SARS-CoV-2 (COVID-19) which might remain on the surface of contaminated clothes, molecular docking of surfactants 1 and 2 with the spike protein of SARS-CoV-2 was carried out. Surfactant 2 showed an optimum interaction with the amino acid residues of the spike protein which is responsible for the binding of the virus with the host receptors. Molecular docking with savinase, an enzyme used in laundry formulation showed that sodium cocyl prolinate surfactant 2 and SDS displayed comparable interactions with the enzyme. Overall, this study has shown that sodium cocyl prolinate surfactant 2 can be a potential candidate in laundry detergent formulation for machine washing due to its relatively low foaming ability and good detergency properties at a much lower temperature (258C), making it more energy-efficient. Surfactant 2 was also found to be a promising antimicrobial agent in laundry detergent due to its moderate antibacterial activity and its interaction with the spike protein of SARS-CoV-2, which can help to reduce the spread of any epidemic or pandemic diseases.