Virtual screening of co-formers for ketoprofen co-crystallization and the molecular properties of the co-crystal.
Loading...
Date
2015-06
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Ketoprofen or [2-(3-benzoylphenyl)propionic acid] is a nonsteroidal antiinflammatory and analgesic agent. The
positive qualities of ketoprofen are based on optimal physicochemical and structural characteristics, its ability to
penetrate into and accumulate in the inflammation centers and compatibility with other classes of drugs. This
compound is practically insoluble in water, therefore as most of NSAID drugs, it is categorized as
Biopharmaceutics Classification System (BCS) class II. A widely used to enhance the solubility of poorly water
soluble drugs is co-crystallization. A co-crystal is a multi-component crystal which involves non-covalent
interactions between API and its co-formers. In this work, we developed virtual screening of co-formers for
ketoprofen by employing molecular docking method. AutoDock was used for docking. Parameters observed were
type and energy (Ei) of interaction. The work was continued by co-crystallization process and solubility assay of
the mixtures according to Higuchi and Connor method using UV spectrophotometer. Based on molecular
docking, the best co-former is saccharin (Ei = -3.14 kcal/mol). The docking result fits the solubility assay of the
ketoprofen-saccharin co-crystal (300.62 μg/mL in water or 256.54% increasing of solubility compared to
ketoprofen). Ketoprofen co-crystal shows better curve (90.15 % in 60 minutes) than ketoprofen (78.87 % in 60
minutes). Co-crystallization of ketoprofen with saccharin increases the dissolution profile of ketoprofen.
Description
Keywords
Anti-inflammatory agent, co-crystal, co-former, ketoprofen, molecular docking, saccharin
Citation
Siswandi S, Rusdiana Taofik, Levita Jutti. Virtual screening of co-formers for ketoprofen co-crystallization and the molecular properties of the co-crystal. Journal of Applied Pharmaceutical Science. 2015 June; 5(6): 78-82.