ArticleScientific reports2026
Theoretical study of drug delivery behavior of graphitic carbon nitride nanosheets for mesalazine in the gas and solvent phases.
Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Nanomaterials have attracted considerable attention as targeted drug delivery systems due to their ability to transport therapeutic agents directly to specific cells, thereby minimizing side effects and enhancing treatment efficacy. Inefficient delivery of mesalazine (5 - aminosalicylic acid; 5 - ASA) to target cells may result in reduced therapeutic outcomes, persistent chronic inflammation, damage to the intestinal mucosa, and an increased risk of systemic side effects. Consequently, the design of targeted drug delivery platforms, such as graphitic carbon nitride (g - C₃N₄) nanosheets, is crucial to improve therapeutic efficacy while reducing adverse effects. In this study, the interaction between the (5 - ASA) molecule and the pristine graphitic carbon nitride nanosheets was investigated in both gas and aqueous phases to evaluate the effect of the environment on the electronic properties of the adsorption complexes. All calculations were examined using density functional theory (DFT) at the B3LYP/6-311G**(d,p) level of theory. The adsorption of 5 - ASA on the g - C₃N₄ surface is thermodynamically favorable, with adsorption energies of approximately - 19.68 kcal·mol⁻
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