Solubility of Some Drugs in Aqueous Solutions of Choline Chloride-Based Deep Eutectic Solvent Systems: Experimental Data, Modeling, and the Impact of Solution pH

Asghar, Samira Zadali; Kaviani, Raha; Jouyban, Abolghasem

doi:10.5812/ijpr-137011

Cited by 3 publications

(1 citation statement)

References 38 publications

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“…In this study the solubility of carvedilol was: 32 mg/L (water), 159 mg/L (ChCl‐G10 %), 873 mg/L (ChCl‐G50 %), 91 mg/L (ChCl‐U10 %) and 620 mg/L (ChCl‐U50 %). Values show that the solutions with higher proportion of DESs increase the solubility of carvedilol [49] …”

Section: Introductionmentioning

confidence: 98%

Solubility and Stability of Carvedilol in Deep Eutectic Solvents: A Step Towards a Sustainable Pharmaceutical Formulation in the Liquid State

Lomba,

Polo,

Martínez

et al. 2024

ChemistrySelect

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Carvedilol is used to treat chronic hypertension, chronic stable angina pectoris and concomitant treatment heart failure and class II of the Biopharmaceutics Classification System (low solubility and poor bioavailability). This drug is only formulated as tablets, and liquid oral formulations are not available on the market. In this work, several aqueous eutectic mixtures formed by xylitol, citric acid, sorbitol and glucose (HBD) and choline chloride as HBA have been used to improve the solubility. Additionally, SwissADME was used to obtain physicochemical and pharmacokinetic parameters to further knowledge on the ADME (absorption, distribution, metabolism and excretion) parameters for carvedilol.The results reveal that the solubility of carvedilol increases as the content of water decreases, and the mixture formed by citric acid and choline chloride (CACh10) was the most soluble. The stability study shows that carvedilol in DES is stable during the test time, as the maximum and minimum concentration losses were 19.0 % and 0.2 %, respectively. These results help advance the green and sustainable development of new medicines in the liquid state.

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Section: Introductionmentioning

confidence: 98%

Solubility and Stability of Carvedilol in Deep Eutectic Solvents: A Step Towards a Sustainable Pharmaceutical Formulation in the Liquid State

Lomba,

Polo,

Martínez

et al. 2024

ChemistrySelect

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Deep Eutectic Solvents Enhancing Drug Solubility and Its Delivery

Sharma,

Park,

Garg

et al. 2024

J. Med. Chem.

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Deep eutectic solvents (DES) are environmentally friendly solvents with the potential to dissolve bioactive compounds without affecting their characteristics. DES has special qualities that can be customized to meet the unique characteristics of a biomolecule/active pharmaceutical ingredient (API) in accordance with various therapeutic needs, providing a reliable approach in opening the door for the creation of cutting-edge drug formulations by resolving solubility issues in pharmaceutics. This study outlines newly developing approaches to solve the problem of inefficient API extraction due to poor solubility. These emerging strategies also have the capacity to alter the chemical and physical stability of API, which triggers drug's shelf life and their possible health benefits. It is anticipated that the highlighted methods and processes will be developed to capitalize on the DES potential to improve drug solubility and delivery in the pharmaceutical sector. ■ SIGNIFICANCE• DES as solubility enhancer for API.• Drug delivery methods incorporating DES.• Recent developments in techniques using DES to improve API solubility. • Increasing stability of API with DES.• Different models and machine learning models analyzing DES for API solubility. • Future challenges with directions.

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Rational design of deep eutectic solvents for the stabilization of dehydrogenases: an artificial neural network prediction approach

Radović,

Jurinjak Tušek,

Reiter

et al. 2024

Front. Chem.

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Stabilized enzymes are crucial for the industrial application of biocatalysis due to their enhanced operational stability, which leads to prolonged enzyme activity, cost-efficiency and consequently scalability of biocatalytic processes. Over the past decade, numerous studies have demonstrated that deep eutectic solvents (DES) are excellent enzyme stabilizers. However, the search for an optimal DES has primarily relied on trial-and-error methods, lacking systematic exploration of DES structure-activity relationships. Therefore, this study aims to rationally design DES to stabilize various dehydrogenases through extensive experimental screening, followed by the development of a straightforward and reliable mathematical model to predict the efficacy of DES in enzyme stabilization. A total of 28 DES were tested for their ability to stabilize three dehydrogenases at 30°C: (S)-alcohol dehydrogenase from Rhodococcus ruber (ADH-A), (R)-alcohol dehydrogenase from Lactobacillus kefir (Lk-ADH) and glucose dehydrogenase from Bacillus megaterium (GDH). The residual activity of these enzymes in the presence of DES was quantified using first-order kinetic models. The screening revealed that DES based on polyols serve as promising stabilizing environments for the three tested dehydrogenases, particularly for the enzymes Lk-ADH and GDH, which are intrinsically unstable in aqueous environments. In glycerol-based DES, increases in enzyme half-life of up to 175-fold for Lk-ADH and 60-fold for GDH were observed compared to reference buffers. Furthermore, to establish the relationship between the enzyme inactivation rate constants and DES descriptors generated by the Conductor-like Screening Model for Real Solvents, artificial neural network models were developed. The models for ADH-A and GDH showed high efficiency and reliability (R2 > 0.75) for in silico screening of the enzyme inactivation rate constants based on DES descriptors. In conclusion, these results highlight the significant potential of the integrated experimental and in silico approach for the rational design of DES tailored to stabilize enzymes.

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Solubility of Some Drugs in Aqueous Solutions of Choline Chloride-Based Deep Eutectic Solvent Systems: Experimental Data, Modeling, and the Impact of Solution pH

Cited by 3 publications

References 38 publications

Solubility and Stability of Carvedilol in Deep Eutectic Solvents: A Step Towards a Sustainable Pharmaceutical Formulation in the Liquid State

Solubility and Stability of Carvedilol in Deep Eutectic Solvents: A Step Towards a Sustainable Pharmaceutical Formulation in the Liquid State

Deep Eutectic Solvents Enhancing Drug Solubility and Its Delivery

Rational design of deep eutectic solvents for the stabilization of dehydrogenases: an artificial neural network prediction approach

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