Virtual screening of co-formers for ketoprofen co-crystallization and the molecular properties of the co-crystal

Siswandi, Siswandi; Rusdiana, Taofik; Levita, Jutti

doi:10.7324/japs.2015.50613

Cited by 21 publications

(18 citation statements)

References 4 publications

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“…Docking was repeated five times for each coformer. Parameters observed were the type and energy (Ei) of interactions [11,12] Preparation of cocrystal using solvent evaporation method GCM and APM were weighed in equimolar ratios of 1:1 and 1:2. Each compound was dissolved in methanol and mixed for a few minutes.…”

Section: In Silico Molecular Dockingmentioning

confidence: 99%

Solid Dosage Form Development of Glibenclamide-Aspartame Cocrystal Using the Solvent Evaporation Method to Increase the Solubility of Glibenclamide

Budiman¹,

Megantara

Apriliani

2019

Int J App Pharm

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Objective: The solubility of a drug in water plays an important role in the absorption of the drug after oral administration. Cocrystal is one method that improves the solubility of the active pharmaceutical ingredient (API). The aim of this study was to investigate the formation of a glibenclamide (GCM)-aspartame (APM) cocrystal using the solvent evaporation method and to evaluate its solubility and dissolution rate. Methods: Molecular docking of the GCM-APM cocrystal was observed using an in silico method. The GCM-APM cocrystal (1:2) was prepared by using the solvent evaporation method. The cocrystal of GCM-APM was evaluated by the saturated solubility test and the dissolution rate test (USP type 2 apparatus). The solvent evaporation product of GCM-APM was characterized by Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), and powder X-ray diffraction (PXRD). Results: In silico study showed that the interaction of GCM-APM has hydrogen bonding and the potential to improve the solubility of GCM. Evaluation of the cocrystal of GCM-APM showed that the solubility and dissolution rate of the cocrystal are significantly increased. Characterization of FT-IR showed that no chemical reaction occurred in the GCM-APM cocrystal. The DSC analysis showed the changes in the melting point of GCM. Measurement of PXRD showed the formation of a new solid crystal phase that is different from GCM and APM. Conclusion: GCM-APM has hydrogen bonding can improve the solubility and dissolution rate of GCM.

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Section: In Silico Molecular Dockingmentioning

confidence: 99%

Solid Dosage Form Development of Glibenclamide-Aspartame Cocrystal Using the Solvent Evaporation Method to Increase the Solubility of Glibenclamide

Budiman¹,

Megantara

Apriliani

2019

Int J App Pharm

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“…Programs were SPORES, Open Babel GUI 2.2.3, PLANTS1.2, and MGLTools1.5.6 shell script for the initial preparation of the ligands and Auto Dock 4.2.3 for docking process. [11,12] Molecular Docking 2D structures of glibenclamide (Chem Spider ID: 54809) and its coformers in. mol format were downloaded from www.chemspider.com.All.…”

Section: Hardware and Programsmentioning

confidence: 99%

Virtual screening of coformers and solubility test for glibenclamide cocrystallization

Budiman¹,

Megantara²,

Apriliani³

2017

Natl J Physiol Pharm Pharmacol

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Background:The therapeutic effectiveness of active pharmaceutical ingredients (API) depends on their solubility. API, which has poorly soluble drugs, can cause low bioavailability. According to the biopharmaceutical classification system (BCS), glibenclamide is classified under BCS Class II drugs), which has low solubility and high permeability. Cocrystallization is one method to enhance the physical properties of drugs, especially the solubility. Aims and Objectives: In this study, we apply the approach to the solid state to estimate the probability of cocrystal formation using virtual screening, and then, study the solubility and dissolution test of one of the best coformers. Materials and Methods: We used virtual screening of coformers for glibenclamide by employing the molecular docking method. AutoDock was used for docking, and the type and energy (Ei) of interaction were observed. The work was continued by the cocrystallization process using dry grinding. Solubility and dissolution tests have referred to the Higuchi and Connor methods using the ultraviolet spectrophotometer. Results: Based on molecular docking, the best of three from coformers were oxalic acid (Ei = −1.6 kcal/mol), benzoic acid (Ei = −2.6 kcal/mol), and ascorbic acid (Ei = −2.1 kcal/mol). The result of the solubility test showed that glibenclamide oxalic acid increases by 81.6% compared to pure glibenclamide at 24 h. The result of the dissolution test showed that glibenclamide oxalic acid has a better curve (77.3% in 60 min) that pures glibenclamide (44.52% in 60 min). Conclusion: This study indicated that oxalic acid as a coformer can increase the dissolution profile of glibenclamide by the approach cocrystalization method.

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“…Thus, the dissolution rate is required to achieve high bioavaibility of IBU. The dissolution rate could be improved by decreasing the particle size, leads to higher surface area of reaction [3][4][5][6][7]. It is very common that pharmaceutical technology uses the micronization process to reduce the particle size in order to increase the dissolution rate of drugs [8][9].…”

Section: Introductionmentioning

confidence: 99%

Enhancement of solubility and dissolution of ibuprofen microparticle prepared by ultrasonic spray drying

Rachmaniar¹,

Panatarani²,

Joni³

et al. 2017

mpj

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Ibuprofen (IBU) is one of the most commonly used nonsteroidal anti-inflammatory drugs with high permeability and low solubility. The aims of this research is to improve the solubility and dissolution of the IBU by reducing particle size using ultrasonic spray drying method and utilizing watersoluble polymer (polyvinyl alcohol (PVA)) and surfactant (sodium lauryl sulphate (SLS)) for particles formulation. The results showed that increasing amount of PVA, smaller particle size of as-prepared IBU-PVA-SLS was obtained, 6.3-fold smaller than untreated IBU. The in vitro drug release study for simulated gastric fluid without enzymes (0.1 N HCl or Buffer pH 1.2) shows the dissolution of prepared IBU-PVA-SLS significantly increase 2.4-fold higher than untreated IBU for dissolution time of 30 minutes. While the solubility of the IBU-PVA-SLS was increased 4.7-fold compare to untreated IBU. In general, IBU possessing relatively high dissolution in intestinal fluid. In contrast, the finding of recent investigation on dissolution of IBU-PVA-SLS is significantly increase in gastric fluid, either due to smaller particles size or PVA-SLS. Thus, despite the PVA and SLS determine the particles formation during polymerization yielding smaller particle size, they also responsible for effective drug delivery system. It was concluded that PVA and SLS in ultrasonic spray drying technique for IBU preparation successfully reduces the particle size and effectively enhances the solubility and dissolution rate of poorly water-soluble IBU in 0.1 N HCl.

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Virtual screening of co-formers for ketoprofen co-crystallization and the molecular properties of the co-crystal

Cited by 21 publications

References 4 publications

Solid Dosage Form Development of Glibenclamide-Aspartame Cocrystal Using the Solvent Evaporation Method to Increase the Solubility of Glibenclamide

Solid Dosage Form Development of Glibenclamide-Aspartame Cocrystal Using the Solvent Evaporation Method to Increase the Solubility of Glibenclamide

Virtual screening of coformers and solubility test for glibenclamide cocrystallization

Enhancement of solubility and dissolution of ibuprofen microparticle prepared by ultrasonic spray drying

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