ArticleJournal of molecular modeling2026
Computational screening of natural deep eutectic solvents for improving naringenin solubilization and membrane behavior in DMPC liposomes Using COSMO-RS and COSMOmic.
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextNaringenin is a natural flavonoid compound with potential pharmaceutical use that is limited by its low aqueous solubility and bioavailability. In this work, we used an in silico drug delivery approach to screen natural deep eutectic solvents (NaDESs) that may improve solubility, membrane affinity, and predicted relative release of naringenin from 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) liposomes. Of all systems screened, betaine-based NaDESs were found to provide the best solubilization efficiency while choline chloride-caffeic acid provided the most stabilizing membrane affinity. Drug-membrane interactions characterized by free-energy, intermolecular interaction, and permeability calculations were shown to be dependent on the NaDES composition. In particular, a tunable relationship between hydrogen-bonding and van der Waals (vdW) interactions was shown to dictate encapsulation and Predicted relative release behavior allowing for rational computational selection of NaDESs to enhance liposomal delivery of poorly water-soluble drugs.
methodsQuantum chemical calculations were conducted based on density functional theory at M06/def2- TZVP level. Solubility, activity coefficients, intermolecular interactions and thermodynamics were predicted by COSMO-RS. Membrane partitioning, free-energy profiles, diffusion, permeability, and distribution in DMPC bilayers were assessed by COSMOmic.
Indexed as
Identifiers
42663670What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.