Enhancing the solubility of celecoxib via lyophilized solid dispersions using computational and experimental approaches.

ABSTRACT: Celecoxib (CLX), a selective COX-2 inhibitor and BCS Class II drug, is widely used for osteoarthritis and rheumatoid arthritis but having poor aqueous solubility (4.2 µg/mL) and limited dissolution, restricting its oral bioavailability. This study aimed to enhance CLX solubility and dissolution using integrated computational and experimental approaches. Simulated crystal morphology revealed a dominant (1 0 0) face, indicating a plate-like crystal habit that may hinder dissolution. Molecular dynamics simulations further identified hydroxypropyl β-cyclodextrin (HP-βCD) as the most compatible polymer, exhibiting the lowest interaction parameter (χ = - 5.86) and mixing energy (Emix = - 3.47 kcal/mol). Physical mixtures (PM1-PM4) were prepared at a 1:1 drug-to-polymer ratio and evaluated for so

SUBMITTER: Rasool F 

PROVIDER: S-EPMC12540782 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature