816 results match your criteria assessing solubility


Preliminary investigation of drug impurities associated with the anti-influenza drug Favipiravir - An insilico approach.

Comput Theor Chem 2021 Oct 17;1204:113375. Epub 2021 Jul 17.

Department of Chemistry, Amrita School of Engineering, Bengaluru Amrita Vishwa Vidyapeetham, India.

The role of repurposed or modified antiviral drugs has become more significant during the current global pandemic of SARS Covid-19. In the present study, four structurally analogous impurity molecules of antiviral drug Favipiravir are selected for preliminary computational investigation for assessing the structure-activity relationship. The optimized geometry and the electronic structures of the compounds are computed using Density Functional Theory as a precursor to evaluating their physical, chemical and spectral properties. Read More

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October 2021

Enzyme Kinetics, Pharmacokinetics, and Inhibition of Aldehyde Oxidase.

Methods Mol Biol 2021 ;2342:257-284

Pharmacokinetics, Pharmacodynamics and Drug Metabolism, Merck, South San Francisco, CA, USA.

Aldehyde oxidase (AO) has emerged as an important drug metabolizing enzyme over the last decade. Several compounds have failed in the clinic because the clearance or toxicity was underestimated by preclinical species. Human AO is much more active than rodent AO, and dogs do not have functional AO. Read More

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January 2021

A topical gel of tea tree oil nanoemulsion containing adapalene versus adapalene marketed gel in patients with acne vulgaris: a randomized clinical trial.

Arch Dermatol Res 2021 Jul 12. Epub 2021 Jul 12.

Department of Medical Nanotechnology, School of Advanced Technologies in Medicine, Tehran University of Medical Sciences, Tehran, Iran.

Adapalene is used for treatment of acne vulgaris, a common dermatological disease. Nano-based carriers have been developed to improve solubility and bioavailability of adapalene and other acne treatment drugs. In our previous report, tea tree oil nanoemulsion containing adapalene gel (TTO NE + ADA Gel) showed appropriate physical and biological properties such as stability, viscosity, pH, size, morphology and biocompatibility in an animal model. Read More

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Firing Increases Arsenic Leaching from Ceramic Water Filters via Arsenic and Iron Phase Transformations.

Environ Sci Technol 2021 Jul 7;55(14):9826-9835. Epub 2021 Jul 7.

Environmental Toxicology Graduate Program, University of California, Riverside, California 92521, United States.

Ceramic water filters (CWFs) are produced globally using local clay sources and can effectively remove bacterial pathogens during point-of-use water treatment. The ceramic production process involves firing clay mixed with burnout material at temperatures of 800-1100 °C, which induces mineralogical changes leading to increased arsenic (As) leaching from CWF material compared to source clay. Unfired clay and fired CWFs from Cambodia, Canada, and Mexico, CWF from Laos, and test-fired clay from the United States were analyzed to determine the extent of As leaching from CWFs that range in As (<1 to 16 mg kg) and iron (Fe) (0. Read More

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Improving the predictive value of bioaccessibility assays and their use to provide mechanistic insights into bioavailability for toxic metals/metalloids - A research prospectus.

J Toxicol Environ Health B Crit Rev 2021 Jun 6:1-18. Epub 2021 Jun 6.

Watershed and Ecosystem Characterization Division, Center for Environmental Measurement and Modelling, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, NC, USA.

Widespread contamination of soil, dust, and food with toxic metal(loid)s pose a significant public health concern. Only a portion of orally ingested metal(loid) contaminants are bioavailable, which is defined as the fraction of ingested metal(loid)s absorbed across the gastrointestinal barrier and into systemic circulation. Bioaccessibility tools are a class of assays used as a surrogate to estimate risk of oral exposure and bioavailability. Read More

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Lipidic Nano-Sized Emulsomes Potentiates the Cytotoxic and Apoptotic Effects of Raloxifene Hydrochloride in MCF-7 Human Breast Cancer Cells: Factorial Analysis and In Vitro Anti-Tumor Activity Assessment.

Pharmaceutics 2021 May 24;13(6). Epub 2021 May 24.

Department of Pharmaceutics, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia.

Raloxifene hydrochloride (RLX), an antiosteoporotic agent, has been utilized for guarding against breast cancer and recently, for the disease management owing to its estrogen antagonist activity. Nevertheless, RLX exhibits poor bioavailability that could be attributed to reduced water solubility and first pass metabolism. To overcome these challenges, this study aimed at formulating and optimizing RLX emulsomes (RLX-EMLs) to enhance the drug antitumor activity. Read More

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Salinity Alters Toxicity of Commonly Used Pesticides in a Model Euryhaline Fish Species ().

Toxics 2021 May 20;9(5). Epub 2021 May 20.

Department of Fisheries, Wildlife, and Conservation Sciences, Coastal Oregon Marine Experiment Station, Oregon State University, Newport, OR 97365, USA.

Changing salinity in estuaries due to sea level rise and altered rainfall patterns, as a result of climate change, has the potential to influence the interactions of aquatic pollutants as well as to alter their toxicity. From a chemical property point of view, ionic concentration can increase the octanol-water partition coefficient and thus decrease the water solubility of a compound. Biologically, organism physiology and enzyme metabolism are also altered at different salinities with implications for drug metabolism and toxic effects. Read More

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Lysine Depletion during Different Feeding Phases: Effects on Growth Performances and Meat Quality of Broiler Chickens.

Animals (Basel) 2021 May 21;11(6). Epub 2021 May 21.

Department of Agricultural and Food Sciences, Alma Mater Studiorum-University of Bologna, 40064 Ozzano dell'Emilia, Italy.

The present study aimed at assessing the impact of lysine restriction performed during different feeding phases on growth performances, meat quality traits and technological properties as well as on the incidence and severity of breast muscle abnormalities. For this purpose, a total of 945 one-day-old Ross 308 male chicks was randomly divided into three experimental groups: CONT, fed a four feeding phases commercial diet, GRW I, and GRW I + II fed CONT diet with the depletion of synthetic lysine during grower I and grower I and II feeding phases, respectively. Productive performances were recorded throughout the whole rearing cycle and the incidence of breast muscle growth-related abnormalities assessed at slaughter (49 d) on 280 breasts/group. Read More

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Anion solvation enhanced by positive supercharging mutations preserves thermal stability of an antibody in a wide pH range.

Biochem Biophys Res Commun 2021 Jul 28;563:54-59. Epub 2021 May 28.

Department of Bioengineering, School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan; Medical Device Development and Regulation Research Center, School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan; Department of Chemistry and Biotechnology, School of Engineering, The University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan; The Institute of Medical Science, The University of Tokyo, 4-6-1, Shirokanedai, Minato-ku, Tokyo, 108-8639, Japan. Electronic address:

Proteins function through interactions with other molecules. In protein engineering, scientists often engineer proteins by mutating their amino acid sequences on the protein surface to improve various physicochemical properties. "Supercharging" is a method to design proteins by mutating surface residues with charged amino acids. Read More

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Synacinn™: Bacterial reverse mutation test data in five histidine-requiring strains of .

Data Brief 2021 Jun 7;36:107075. Epub 2021 May 7.

Proliv Life Sciences Sdn Bhd, D-1-15, Residensi Bistaria, Jln Ulu Kelang, Taman Ukay Bistari, 68000 Ampang, Selangor Darul Ehsan, Malaysia.

The present data described the analysis of mutagenicity in Synacinn by assessing the point mutations occurring due to Synacinn™ exposure to five tester strains of (TA1537, TA1535, TA98, TA100 and TA102), in the presence or absence of an exogenous mammalian metabolic activation system (S9). It was conducted in two Phases - Phase I (Dose Range Finding experiment-DRF) and Phase II (Mutagenicity Assay 1 and 2). DRF and Mutagenicity Assay 1 was conducted employing plate incorporation method, while Mutagenicity Assay 2 was performed using pre-incubation method. Read More

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Assessing monocyte phenotype in poly(-glutamic acid) hydrogels formed by orthogonal thiol-norbornene chemistry.

Biomed Mater 2021 May 28;16(4). Epub 2021 May 28.

Department of Biomedical Engineering, Purdue School of Engineering and Technology, Indiana University-Purdue University Indianapolis, Indianapolis, IN 46202, United States of America.

Hydrogels with tunable properties are highly desirable in tissue engineering applications as they can serve as artificial extracellular matrix to control cellular fate processes, including adhesion, migration, differentiation, and other phenotypic changes via matrix induced mechanotransduction. Poly(-glutamic acid) (PGA) is an natural anionic polypeptide that has excellent biocompatibility, biodegradability, and water solubility. Moreover, the abundant carboxylic acids on PGA can be readily modified to introduce additional functionality or facilitate chemical crosslinking. Read More

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Influence of rainfall and seasonal crop practices on nutrient and pesticide runoff from soybean dominated agricultural areas in Pampean streams, Argentina.

Sci Total Environ 2021 Sep 11;788:147676. Epub 2021 May 11.

Laboratorio de Ecotoxicología, Departamento de Ciencias Naturales, Facultad de Humanidades y Ciencias, Universidad Nacional del Litoral (UNL), Ciudad Universitaria, Santa Fe 3000, Argentina. Electronic address:

An increase in the spatial variability of rainfall is expected due to climate change. This implies increasing rainfall rates during spring and summer in the Pampas region, Argentina, period of maximum application of agrochemicals, which might cause an increase in pesticides and nutrients carried to surface water systems, as runoff by rainfall is one of the main pathways for diffuse pollution. The crops phenological stage can also affect pesticide and nutrient runoff since the applied agrochemicals and soil cover differ in each stage. Read More

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September 2021

Oxidation process of lead sulfide nanoparticle in the atmosphere or natural water and influence on toxicity toward Chlorella vulgaris.

J Hazard Mater 2021 09 8;417:126016. Epub 2021 May 8.

School of Resources and Civil Engineering, Northeastern University, Shenyang 110819, China. Electronic address:

Lead sulfide nanoparticle (nano-PbS) released into environment can cause hazards to human or ecosystem. Nano-PbS potentially undergoes oxidation in the environment, but oxidation mechanism is not understood yet. Herein, oxidation kinetics and products of nano-PbS by ozone (O), hydrogen peroxide (HO) and hydroxyl radical (HO·) in the atmosphere or natural water were investigated. Read More

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September 2021

[Construction of an adriamycin-glycyrrhizin molecular complex and assessment of its antitumor activity].

Nan Fang Yi Ke Da Xue Xue Bao 2021 Apr;41(4):613-620

Department of Pharmacy, Southern Medical University, Guangzhou 510515, China.

Objective: To prepare an adriamycin-glycyrrhizin molecular complex (ADR-GL complex) using glycyrrhizin (GL, a component in traditional Chinese drug) as the carrier and assess the solubility and anti-tumor activity of the complex.

Objective: Dried solid products of ADR-GL complex with different molar ratios of ADR and GL (2∶1, 1∶1, and 1∶2) were prepared by rotary steaming and characterized using FT-IR and DSC. The products were dissolved in pH7. Read More

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Screening fertilizers for their phosphorus runoff risk using laboratory methods.

J Environ Qual 2021 Jul 29;50(4):955-966. Epub 2021 May 29.

Fertiliser Technology Research Centre, School of Agriculture, Food and Wine, The Univ. of Adelaide, Waite Campus, Glen Osmond, SA, 5064, Australia.

Losses of phosphorus (P) from fertilized fields may result in degradation of water quality. Various initiatives are under evaluation to minimize water contamination, including the adoption of less soluble or coated P fertilizer formulations aiming to mitigate losses of P in runoff. Field-based rainfall simulators are traditionally used to evaluate P runoff, but using these is time consuming, labor intensive, and costly given the complex apparatus and analyses involved. Read More

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Insulin fast-dissolving film for intranasal delivery via olfactory region, a promising approach for the treatment of anosmia in COVID-19 patients: Design, in-vitro characterization and clinical evaluation.

Int J Pharm 2021 May 14;601:120600. Epub 2021 Apr 14.

Department of Pharmaceutics, Faculty of Pharmacy, Minia University, Minia, Egypt. Electronic address:

The present work aimed to formulate intranasal insulin fast-dissolving films for treatment of anosmia in patients post COVID-19 infection. Variant films were prepared employing the casting method and using hydroxypropyl methyl cellulose and polyvinyl alcohol. The formulated films were investigated for insulin content, weight variation, surface pH, thickness, folding endurance and disintegration time. Read More

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Combining species specific in vitro & in silico models to predict in vivo food effect in a preclinical stage - case study of Venetoclax.

Eur J Pharm Sci 2021 Jul 15;162:105840. Epub 2021 Apr 15.

School of Pharmacy, University College Cork, Cork, Ireland. Electronic address:

The pig has been increasingly used as a reliable preclinical model for assessing and predicting the in vivo bioavailability of different formulation strategies. Nevertheless, differences in the composition between porcine and human intestinal fluids, may impact on the solubility and dissolution behaviour of drugs, in particular BCS II/IV drugs. Recently, a porcine fasted simulated intestinal fluid (FaSSIFp) was developed to mimic the composition in the lumen of landrace pigs under fasted state conditions. Read More

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Deciphering molecular mechanics in the taste masking ability of Maltodextrin: Developing pediatric formulation of Oseltamivir for viral pandemia.

Carbohydr Polym 2021 May 28;260:117703. Epub 2021 Jan 28.

University Institute of Pharmaceutical Sciences, Panjab University, Chandigarh, 160014, India. Electronic address:

Present research work was aimed at masking the bitter taste of anti- viral drug Oseltamivir phosphate (Ost) by complexing it with pea starch maltodextrin- Kleptose Linecaps® (Mld). The Ost groups involved in triggering the bitter sensation were identified by computationally assessing its interaction with human bitter taste receptor hTAS2R 38. A series of exhaustive molecular dynamics (MD) simulation was run using Schrodinger® suite to understand the type of interaction of Ost with Mld. Read More

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Assessing the impact of counterion types on the sustained release characteristics of high-payload drug-ion complex: A case study on tetracycline hydrochloride.

Eur J Pharm Sci 2021 Jun 5;161:105787. Epub 2021 Mar 5.

School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 637459. Electronic address:

Complexation of ionized hydrophilic drugs with counterions (e.g. polyelectrolytes, ionic amphiphiles, multivalent salt ions) represents a well-established formulation approach to produce sustained release of highly soluble drugs while maintaining a high drug payload. Read More

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Assessing metal contaminants in Antarctic soils using diffusive gradients in thin-films.

Chemosphere 2021 Apr 17;269:128675. Epub 2020 Oct 17.

Faculty of Science Medicine and Health, University of Wollongong, NSW, Australia; CSIRO Land and Water, Lucas Heights, NSW, Australia.

Metal contaminants in Antarctic soils are typically found around research stations which are concentrated in ice-free coastal areas. The risk of these contaminants to the Antarctic environment is not well understood, given Antarctica's unique organisms and climate. This study assessed the use of diffusive gradients in thin-films (DGT), a passive sampler that measures fluxes of labile metals from soils to porewaters, in Antarctic soils. Read More

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Amino acid derivative reactivity assay-organic solvent reaction system: A novel alternative test for skin sensitization capable of assessing highly hydrophobic substances.

J Appl Toxicol 2021 Feb 26. Epub 2021 Feb 26.

Safety Science Research Laboratories, Lion Corporation, Kanagawa, Japan.

The amino acid derivative reactivity assay (ADRA) is an in chemico alternative to animal testing that focuses on protein binding. The ADRA is a skin sensitization test that solves problems associated with the direct peptide reactivity assay. However, when utilizing the ADRA to evaluate highly hydrophobic substances with octanol/water partition coefficients (logKow) of >6, the test substances may not dissolve in the reaction solution, which can prevent the accurate assessment of skin sensitization. Read More

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February 2021

Assessing the potential of sewage sludge-derived biochar as a novel phosphorus fertilizer: Influence of extractant solutions and pyrolysis temperatures.

Waste Manag 2021 Apr 20;124:144-153. Epub 2021 Feb 20.

School of Engineering, RMIT University, GPO Box 2476, 3001 Melbourne, VIC, Australia.

Sewage sludge-derived biochar (SSB) is a phosphorus (P) source with potential to replace soluble P fertilizers. However, SSB presents a diversity of P compounds, mainly in mineral forms with different degrees of chemical stability. This hinders the prediction of P bioavailability. Read More

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Biowaiver Monograph for Immediate-Release Solid Oral Dosage Forms: Carbamazepine.

J Pharm Sci 2021 05 18;110(5):1935-1947. Epub 2021 Feb 18.

Pharmaceutical Technology and Biopharmaceutics, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg University, Mainz, Germany. Electronic address:

Literature relevant to assessing whether BCS-based biowaivers can be applied to immediate release (IR) solid oral dosage forms containing carbamazepine as the single active pharmaceutical ingredient are reviewed. Carbamazepine, which is used for the prophylactic therapy of epilepsy, is a non-ionizable drug that cannot be considered "highly soluble" across the range of pH values usually encountered in the upper gastrointestinal tract. Furthermore, evidence in the open literature suggests that carbamazepine is a BCS Class 2 drug. Read More

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Evaluating the impact of acid-reducing agents on drug absorption using biorelevant in vitro tools and PBPK modeling - case example dipyridamole.

Eur J Pharm Sci 2021 May 11;160:105750. Epub 2021 Feb 11.

Institute of Pharmaceutical Technology, J. W. Goethe University, 9 Max von Laue St., 60438, Frankfurt am Main, Germany; Fraunhofer Institute of Translational Medicine and Pharmacology, Theodor-Stern-Kai 7, 60596, Frankfurt am Main, Germany. Electronic address:

Background: In vitro and in silico methods have become an essential tool in assessing metabolic drug-drug interactions (DDI) and avoiding reduced efficacy and increased side-effects. Another important type of DDI is the impact of acid-reducing agent (ARA) co-therapy on drug pharmacokinetics due to changes in gastric pH, especially for poorly soluble weakly basic drugs.

Methods: One-stage, two-stage and transfer dissolution experiments with dipyridamole tablets using novel biorelevant media representing the ARA effect were conducted and the results were coupled with a PBPK model. Read More

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Chemical Properties Determine Solubility and Stability in βγ-Crystallins of the Eye Lens.

Chembiochem 2021 Apr 10;22(8):1329-1346. Epub 2021 Feb 10.

Department of Chemistry, University of California, Irvine, 1102 Natural Sciences 2, Irvine, CA, 92697-2025, USA.

βγ-Crystallins are the primary structural and refractive proteins found in the vertebrate eye lens. Because crystallins are not replaced after early eye development, their solubility and stability must be maintained for a lifetime, which is even more remarkable given the high protein concentration in the lens. Aggregation of crystallins caused by mutations or post-translational modifications can reduce crystallin protein stability and alter intermolecular interactions. Read More

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Quantitative Metabolomics of Saccharomyces Cerevisiae Using Liquid Chromatography Coupled with Tandem Mass Spectrometry.

J Vis Exp 2021 01 5(167). Epub 2021 Jan 5.

Department of Biology, Concordia University;

Metabolomics is a methodology used for the identification and quantification of many low-molecular-weight intermediates and products of metabolism within a cell, tissue, organ, biological fluid, or organism. Metabolomics traditionally focuses on water-soluble metabolites. The water-soluble metabolome is the final product of a complex cellular network that integrates various genomic, epigenomic, transcriptomic, proteomic, and environmental factors. Read More

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January 2021

Predicting the API partitioning between lipid-based drug delivery systems and water.

Int J Pharm 2021 Feb 21;595:120266. Epub 2021 Jan 21.

TU Dortmund University, Laboratory of Thermodynamics, Emil-Figge-Str. 70, D-44227 Dortmund, Germany. Electronic address:

Partitioning tests in water are early-stage standard experiments during the development of pharmaceutical formulations, e.g. of lipid-based drug delivery system (LBDDS). Read More

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February 2021

New insight into the negative impact of imidazolium-based ionic liquid [Cmim]Cl on Hela cells: From membrane damage to biochemical alterations.

Ecotoxicol Environ Saf 2021 Jan 11;208:111629. Epub 2020 Nov 11.

SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Theoretical Chemistry of Environment, South China Normal University, Guangzhou 510006, China; School of Environment, South China Normal University, University Town, Guangzhou 510006, China. Electronic address:

As an alternative to volatile organic solvents, ionic liquids (ILs) are known as "green solvents", and widely used in industrial applications. However, due to their high solubility and stability, ILs have tendency to persist in the water environment, thus having potential negative impacts on the aquatic ecosystem. For assessing the environmental risks of ILs, a fundamental understanding of the toxic effects and mechanisms of ILs is needed. Read More

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January 2021

Assessing toxicity of hydrophobic aliphatic and monoaromatic hydrocarbons at the solubility limit using novel dosing methods.

Chemosphere 2021 Feb 2;265:129174. Epub 2020 Dec 2.

Concawe, Environmental Management Group, Brussels, Belgium. Electronic address:

Reliable delineation of aquatic toxicity cut-offs for poorly soluble hydrocarbons is lacking. In this study, vapor and passive dosing methods were applied in limit tests with algae and daphnids to evaluate the presence or absence of chronic effects at exposures corresponding to the water solubility for representative hydrocarbons from five structural classes: branched alkanes, mono, di, and polynaphthenic (cyclic) alkanes and monoaromatic naphthenic hydrocarbons (MANHs). Algal growth rate and daphnid immobilization, growth and reproduction served as the chronic endpoints investigated. Read More

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February 2021

Leveraging bile solubilization of poorly water-soluble drugs by rational polymer selection.

J Control Release 2021 02 15;330:36-48. Epub 2020 Dec 15.

Institute for Pharmacy and Food Chemistry, University of Wuerzburg, Am Hubland, DE-97074 Wuerzburg, Germany; Helmholtz Institute for RNA-based Infection Biology (HIRI), DE-97070 Wuerzburg, Germany. Electronic address:

Poorly water-soluble drugs frequently solubilize into bile colloids and this natural mechanism is key for efficient bioavailability. We tested the impact of pharmaceutical polymers on this solubilization interplay using proton nuclear magnetic resonance spectroscopy, dynamic light scattering, and by assessing the flux across model membranes. Eudragit E, Soluplus, and a therapeutically used model polymer, Colesevelam, impacted the bile-colloidal geometry and molecular interaction. Read More

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February 2021