Solubility, Thermodynamic Parameters, and Dissolution Properties of 17-α Hydroxyprogesterone in 13 Pure Solvents
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ABSTRACT:
SUBMITTER: Zhao Q
PROVIDER: S-EPMC11007714 | biostudies-literature | 2024 Mar
REPOSITORIES: biostudies-literature
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Project description:Glipizide (GLZ) is an oral hypoglycemic agent, which is a weakly aqueous soluble drug. The solubility values of GLZ in various neat solvents are scarce in the literature. Hence, the solubility of GLZ in 12 different neat solvents, namely, "water, methanol, ethanol, isopropanol (IPA), 1-butanol, 2-butanol, ethylene glycol (EG), propylene glycol (PG), poly(ethylene glycol)-400 (PEG-400), ethyl acetate (EA), dimethyl sulfoxide (DMSO), and Transcutol-HP (THP)", at "T = 298.2-318.2 K" and "p = 0.1 MPa" was measured. The recorded solubilities of GLZ were correlated by "van't Hoff and Apelblat models" using root-mean-square deviation (RMSD). The overall RMSD was obtained as 1.21 and 1.40% for "Apelblat and van't Hoff models", respectively. Different solubility parameters of all studied materials including drug and solvent were calculated to find the best solvent for GLZ. The solubilities of GLZ (expressed in mole fraction) have been found highest in DMSO (2.81 × 10-2), followed by THP, EA, 2-butanol, 1-butanol, IPA, PEG-400, ethanol, PG, methanol, EG, and water (1.98 × 10-4) at "T = 318.2 K". All investigated solubility parameters of GLZ were recorded very close to the DMSO. "Apparent thermodynamic analysis" showed an "endothermic and entropy-driven dissolution" of GLZ in the 12 different neat solvents. The highest molecular interactions were recorded in GLZ-DMSO compared to other combinations. Overall, DMSO has been considered as the best solvent for the solubilization of GLZ.
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Project description:Pyrazinamide is a first line drug used for the treatment of tuberculosis, a pathology that caused the death of more than 1.3 million people in the world during 2022, according to WHO, being a drug of current interest due to its relevance in pharmaceutical and medical sciences. In this context, solubility is one of the most important physicochemical parameters in the development and/or optimization of new pharmaceutical forms, so the present work aims to present a thermodynamic study of the solubility of pyrazinamide in nine organic solvents of pharmaceutical interest. Using the shake-flask method and UV/Vis spectrophotometry, the solubility of this drug was determined at 9 temperatures; the maximum solubility was obtained in dimethyl sulfoxide at 318.15 K (x2=0.0816±0.004) and the minimum in cyclohexane at 283.15 K (1.73±0.05×10-5). From the apparent solubility data, the thermodynamic functions of solution and mixing were calculated, indicating an endothermic process. In addition, the solubility parameter of pyrazinamide was calculated using the Hoftyzer-van Krevelen (32.90 MPa1/2) and Bustamante (28.14 MPa1/2) methods. The maximum solubility was reached in dimethyl sulfoxide and the minimum in cyclohexane. As for the thermodynamic functions, the entropy drives the solution process in all cases. In relation to the solubility parameter, it can be analyzed that the mathematical models offer approximations; however, the experimental data are still primordial at the time of inferring any process.
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Project description:The solubility parameters, and solution thermodynamics of temozolomide (TMZ) in 10 frequently used solvents were examined at five different temperatures. The maximum mole fraction solubility of TMZ was ascertained in dimethyl sulfoxide (1.35 × 10-2), followed by that in polyethylene glycol-400 (3.32 × 10-3) > Transcutol® (2.89 × 10-3) > ethylene glycol (1.64 × 10-3) > propylene glycol (1.47 × 10-3) > H2O (7.70 × 10-4) > ethyl acetate (5.44 × 10-4) > ethanol (1.80 × 10-4) > isopropyl alcohol (1.32 × 10-4) > 1-butanol (1.07 × 10-4) at 323.2 K. An analogous pattern was also observed for the other investigated temperatures. The quantitated TMZ solubility values were regressed using Apelblat and Van't Hoff models and showed overall deviances of 0.96% and 1.33%, respectively. Apparent thermodynamic analysis indicated endothermic, spontaneous, and entropy-driven dissolution of TMZ in all solvents. TMZ solubility data may help to formulate dosage forms, recrystallize, purify, and extract/separate TMZ.
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Project description:ObjectiveSeventeen-alpha-hydroxyprogesterone caproate (17-OHPC) reduces recurrent preterm birth (PTB). We hypothesized that single nucleotide polymorphisms in the human progesterone receptor (PGR) affect response to 17-OHPC in the prevention of recurrent PTB.Study designWe conducted secondary analysis of a study of 17-OHPC vs placebo for recurrent PTB prevention. Twenty PGR gene single nucleotide polymorphisms were studied. Multivariable logistic regression assessed for an interaction between PGR genotype and treatment status in modulating the risk of recurrent PTB.ResultsA total of 380 women were included; 253 (66.6%) received 17-OHPC and 127 (33.4%) received placebo. In all, 61.1% of women were African American. Multivariable logistic regression demonstrated significant treatment-genotype interactions (either a beneficial or harmful treatment response) for African Americans delivering<37 weeks' gestation for rs471767 and rs578029, and for Hispanics/Caucasians delivering<37 weeks' gestation for rs500760 and <32 weeks' gestation for rs578029, rs503362, and rs666553.ConclusionThe clinical efficacy and safety of 17-OHPC for recurrent PTB prevention may be altered by PGR gene polymorphisms.
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Project description:ObjectiveWe hypothesized that genetic variation affects responsiveness to 17-alpha hydroxyprogesterone caproate (17P) for recurrent preterm birth prevention.Study designWomen of European ancestry with ≥1 spontaneous singleton preterm birth at <34 weeks' gestation who received 17P were recruited prospectively and classified as a 17P responder or nonresponder by the difference in delivery gestational age between 17P-treated and -untreated pregnancies. Samples underwent whole exome sequencing. Coding variants were compared between responders and nonresponders with the use of the Variant Annotation, Analysis, and Search Tool (VAAST), which is a probabilistic search tool for the identification of disease-causing variants, and were compared with a Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway candidate gene list. Genes with the highest VAAST scores were then classified by the online Protein ANalysis THrough Evolutionary Relationships (PANTHER) system into known gene ontology molecular functions and biologic processes. Gene distributions within these classifications were compared with an online reference population to identify over- and under- represented gene sets.ResultsFifty women (9 nonresponders) were included. Responders delivered 9.2 weeks longer with 17P vs 1.3 weeks' gestation for nonresponders (P < .001). A genome-wide search for genetic differences implicated the NOS1 gene to be the most likely associated gene from among genes on the KEGG candidate gene list (P < .00095). PANTHER analysis revealed several over-represented gene ontology categories that included cell adhesion, cell communication, signal transduction, nitric oxide signal transduction, and receptor activity (all with significant Bonferroni-corrected probability values).ConclusionWe identified sets of over-represented genes in key processes among responders to 17P, which is the first step in the application of pharmacogenomics to preterm birth prevention.
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Project description:This study examines the solubility and thermodynamics of febuxostat (FBX) in a variety of mono solvents, including "water, methanol (MeOH), ethanol (EtOH), isopropanol (IPA), 1-butanol (1-BuOH), 2-butanol (2-BuOH), ethylene glycol (EG), propylene glycol (PG), polyethylene glycol-400 (PEG-400), ethyl acetate (EA), Transcutol-HP (THP), and dimethyl sulfoxide (DMSO)" at 298.2-318.2 K and 101.1 kPa. The solubility of FBX was determined using a shake flask method and correlated with "van't Hoff, Buchowski-Ksiazczak λh, and Apelblat models". The overall error values for van't Hoff, Buchowski-Ksiazczak λh, and Apelblat models was recorded to be 1.60, 2.86, and 1.14%, respectively. The maximum mole fraction solubility of FBX was 3.06 × 10-2 in PEG-400 at 318.2 K, however the least one was 1.97 × 10-7 in water at 298.2 K. The FBX solubility increased with temperature and the order followed in different mono solvents was PEG-400 (3.06 × 10-2) > THP (1.70 × 10-2) > 2-BuOH (1.38 × 10-2) > 1-BuOH (1.37 × 10-2) > IPA (1.10 × 10-2) > EtOH (8.37 × 10-3) > EA (8.31 × 10-3) > DMSO (7.35 × 10-3) > MeOH (3.26 × 10-3) > PG (1.88 × 10-3) > EG (1.31 × 10-3) > water (1.14 × 10-6) at 318.2 K. Compared to the other combinations of FBX and mono solvents, FBX-PEG-400 had the strongest solute-solvent interactions. The apparent thermodynamic analysis revealed that FBX dissolution was "endothermic and entropy-driven" in all mono solvents investigated. Based on these findings, PEG-400 appears to be the optimal co-solvent for FBX solubility.
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Project description:The solubility values and thermodynamic parameters of a natural phytomedicine/nutrient piperine (PPN) in Transcutol-HP (THP) + water combinations were determined. The mole fraction solubilities (xe) of PPN in THP + water combinations were recorded at T = 298.2-318.2 K and p = 0.1 MPa by the shake flask method. Hansen solubility parameters (HSPs) of PPN, pure THP, pure water and THP + water mixtures free of PPN were also computed. The xe values of PPN were correlated well with "Apelblat, Van't Hoff, Yalkowsky-Roseman, Jouyban-Acree and Jouyban-Acree-Van't Hoff" models with root mean square deviations of < 2.0%. The maximum and minimum xe value of PPN was found in pure THP (9.10 × 10-2 at T = 318.2 K) and pure water (1.03 × 10-5 at T = 298.2 K), respectively. In addition, HSP of PPN was observed more closed with that of pure THP. The thermodynamic parameters of PPN were obtained using the activity coefficient model. The results showed an endothermic dissolution of PPN at m = 0.6-1.0 in comparison to other THP + water combinations studied. In addition, PPN dissolution was recorded as entropy-driven at m = 0.8-1.0 compared with other THP + water mixtures evaluated.
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