A nanoscopic explanation of nitric oxide solubility in natural deep eutectic solvents

Since its discovery in December 2019, COVID-19 has been an unprecedented global threat. A massive collective scientific effort has been in place since the pandemic took off in order to put off its health threatening effects. The aim of this work is to evaluate the potential nitric oxide as a candidate therapeutics that can be considered for fighting against the severe effects of COVID-19. The findings of this work provide valuable molecular understanding on how nitric oxide behaves in close contact with natural deep eutectic solvents and this work paves the way towards enhancing bioavailibity of nitric oxide via liquid infusion through natural deep eutectic solvents. Nanoscopic explanation of nitric oxide interactions with L-Arginine based natural deep eutectic solvents are reported through findings obtained from density functional theory calculations and molecular dynamics simulations. Structural characteristics of the studied systems and critical interaction patterns of nitric oxide within proposed carrier medium are the main focus of the presented work. The results that are shared in this work can be considered fundamental scientific basis on increasing the mobility, availability and the accessibility of the nitric oxide, as it ameliorates pulmonary hypertension with pulmonary selectivity as well as improve cardiovascular health by providing protection against the initiation and progression of atherosclerosis in multiple proven ways. Published by Elsevier B.V.