Application of Molecular Dynamics Simulation To Predict the Compatability between Water-Insoluble Drugs and Self-Associating Poly(ethylene oxide)- b -poly(ε-caprolactone) Block Copolymers

Prediction of the solubility of cucurbit

Prediction of the solubility of cucurbitacin drugs in self-associating poly(ethylene oxide)-b-poly(α-benzyl carboxylate ɛ-caprolactone) block copolymer with different tacticities using molecular dynamics simulation

✍ Sarthak K. Patel; Afsaneh Lavasanifar; Phillip Choi 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 979 KB

Molecular dynamics (MD) simulation was used to investigate the solubility of two hydrophobic drugs Cucurbitacin B (CuB) and Cucurbitacin I (CuI) in poly(ethylene oxide)-b-poly(a-benzyl carboxylate 3-caprolactone) (PEO-b-PBCL) block copolymers with different tacticities. In particular, di-block copol