A multifaceted approach to explore the formation of EM of paracetamol with improved solubility and its composite with graphene oxide

The majority of newly identified active pharmaceutical ingredients (APIs) have low water solubility due to which they are facing challenges for their therapeutic efficiency. Paracetamol (A) is commonly used analgesic and antipyretic drug but its limited water solubility necessitating high doses that can lead to hepatotoxicity. People used mostly A in the viral fever and during the COVID-19 pandemic its uses was exponentially increased. In this study, an eutectic mixtures (EM) of paracetamol and different amino acids were designed and synthesized to enhance the solubility. Density functional theory (DFT) calculations were used to analyse the interaction between A and amino acids; A7 (EM of paracetamol and glutamic acid) was identified as the best EM based on dipole moment keeping the objective of improved solubility. Subsequent DFT calculations determine the adsorption behaviour of A7 on graphene and graphene oxide (GO) surfaces. The stability of the A7, graphene-A7 and GO-A7 systems was investigated by molecular dynamics (MD) simulations. The screened EM with and without graphene as well as GO were synthesised and characterised by using X-ray Diffraction (XRD), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM) and thermo gravimetric analysis (TGA). Electrochemical studies were performed to examine the adsorption of A7 on graphene and GO surfaces. The results provide insights into the synthesis of EMs and its adsorption behaviour on graphene and GO surfaces, offering potential strategies for enhancing the bioavailability of A.