Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: unknown, P. 126655 - 126655
Published: Dec. 1, 2024
Language: Английский
International Journal of Pharmaceutics, Journal Year: 2025, Volume and Issue: unknown, P. 125278 - 125278
Published: Jan. 1, 2025
Language: Английский
Citations
2
Molecules, Journal Year: 2024, Volume and Issue: 29(10), P. 2296 - 2296
Published: May 14, 2024
Deep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine hydrogen bond acceptors various polyols (ethylene glycol, diethylene triethylene glycerol, 1,2-propanediol, 1,3-butanediol) donors. Experimental data were collected for all DES systems. A machine learning model was developed using COSMO-RS molecular descriptors to predict solubility. All studied exhibited a cosolvency effect, increasing drug at modest concentrations water. The accurately predicted ibuprofen, ketoprofen, related analogs (flurbiprofen, felbinac, phenylacetic acid, diphenylacetic acid). approach enables rational design prediction formulations improved applications.
Language: Английский
Citations
15
Journal of Medicinal Chemistry, Journal Year: 2024, Volume and Issue: 67(17), P. 14807 - 14819
Published: Aug. 26, 2024
Deep eutectic solvents (DES) are environmentally friendly with the potential to dissolve bioactive compounds without affecting their characteristics. DES has special qualities that can be customized meet unique characteristics of a biomolecule/active pharmaceutical ingredient (API) in accordance various therapeutic needs, providing reliable approach opening door for creation cutting-edge drug formulations by resolving solubility issues pharmaceutics. This study outlines newly developing approaches solve problem inefficient API extraction due poor solubility. These emerging strategies also have capacity alter chemical and physical stability API, which triggers drug's shelf life possible health benefits. It is anticipated highlighted methods processes will developed capitalize on improve delivery sector.
Language: Английский
Citations
12
Molecules, Journal Year: 2024, Volume and Issue: 29(16), P. 3841 - 3841
Published: Aug. 13, 2024
Deep eutectic solvents (DES) represent a promising class of green solvents, offering particular utility in the extraction and development new formulations natural compounds such as ferulic acid (FA). The experimental phase study undertook systematic investigation solubility FA DES, comprising choline chloride or betaine hydrogen bond acceptors six different polyols donors. results demonstrated that based on were more effective than those betaine. optimal ratio to donors was found be 1:2 molar. addition water DES resulted notable enhancement FA. Among tested, triethylene glycol most effective. Hence, composed (TEG) (1:2) with added 0.3 molar ration is suggested an efficient alternative traditional organic like DMSO. In second part this report, affinities saturated solutions computed for solute-solute all solute-solvent pairs. It self-association leads cyclic structure C28 type, common among carboxylic acids, which strongest type affinity. On other hand, hetero-molecular bi-complexes, stable FA-TEG pair, interesting congruency high TEG containing liquids. Finally, work combined COSMO-RS modeling machine learning model predicting wide range including not only but also classical neat binary mixtures. A protocol developed highly accurate solubility, significantly outperforming approach. Based obtained results, it recommended use support vector regressor (SVR) screening dissolution media has sound generalization systems.
Language: Английский
Citations
6
Molecules, Journal Year: 2024, Volume and Issue: 29(20), P. 4894 - 4894
Published: Oct. 16, 2024
Deep eutectic solvents (DESs) are popular green media used for various industrial, pharmaceutical, and biomedical applications. However, the possible compositions of systems so numerous that it is impossible to study all them experimentally. To remedy this limitation, solubility landscape selected active pharmaceutical ingredients (APIs) in choline chloride- betaine-based deep was explored using theoretical models based on machine learning. The available data APIs, comprising a total 8014 points, were collected neat solvents, binary solvent mixtures, DESs. This set augmented with new measurements sulfa drugs dry descriptors learning protocol obtained from σ-profiles considered molecules computed within COSMO-RS framework. A combination six sets 36 regressors tested. Taking into account both accuracy generalization, concluded best regressor nuSVR regressor-based predictive trained relative intermolecular interactions twelve-step averaged simplification σ-profiles.
Language: Английский
Citations
6
Frontiers in Bioengineering and Biotechnology, Journal Year: 2024, Volume and Issue: 12
Published: Aug. 6, 2024
Ionic liquids (ILs) represent an exciting and promising solution for advancing drug delivery platforms. Their unique properties, including broad chemical diversity, adaptable structures, exceptional thermal stability, make them ideal candidates overcoming challenges in transdermal delivery. Despite encountering obstacles such as side reactions, impurity effects, biocompatibility concerns, stability issues, ILs offer substantial potential enhancing solubility, navigating physiological barriers, improving particle stability. To propel the use of IL-based pharmaceutical innovation, it is imperative to devise new strategies solvents that can amplify effectiveness, facilitate cells at molecular level, ensure compatibility with human body. This review introduces innovative methods effectively address associated delivery, presenting progressive approaches significantly improve efficacy this system.
Language: Английский
Citations
4
International Journal of Pharmaceutics, Journal Year: 2025, Volume and Issue: unknown, P. 125431 - 125431
Published: March 1, 2025
Language: Английский
Citations
0
RSC Advances, Journal Year: 2025, Volume and Issue: 15(14), P. 11194 - 11214
Published: Jan. 1, 2025
Fluorescence and solubility analysis of fluconazole in bio-based deep eutectic solvents (DESs): experimental modeling approach (e-NRTL, Wilson).
Language: Английский
Citations
0
Green Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
This review first provides a comprehensive overview of NaDES theory and subsequently explores all potential applications in the pharmaceutical industry, highlighting overlooked issues such as toxicity process limitations.
Language: Английский
Citations
0
Catalysts, Journal Year: 2024, Volume and Issue: 14(6), P. 371 - 371
Published: June 10, 2024
Chitin and chitosan, abundant biopolymers derived from the shells of crustaceans cell walls fungi, have garnered considerable attention in pharmaceutical circles due to their biocompatibility, biodegradability, versatile properties. Deep eutectic solvents (DESs), emerging green composed mixtures hydrogen bond acceptors donors, offer promising avenues for enhancing solubility functionality chitin chitosan formulations. This review delves into potential utilizing DESs as highlighting efficiency dissolving these polymers, which facilitates production novel drug delivery systems, wound dressings, tissue engineering scaffolds, antimicrobial agents. The distinctive physicochemical properties DESs, including low toxicity, volatility, adaptable solvation power, enable customization chitosan-based materials meet specific requirements. Moreover, environmentally friendly nature aligns with growing demand sustainable eco-friendly processes manufacturing. revision underscores recent advances illustrating role evolving applications laying groundwork development innovative systems biomedical enhanced efficacy safety profiles.
Language: Английский
Citations
2