Tuning Caco-2 permeability by cocrystallization: Insights from molecular dynamics simulation
Noopur Pandey, Nimmy Kumari, Parag Roy, Susanta Mondal, Abhishek Thakur, Changquan Calvin Sun, Animesh Ghosh
Topics & Concepts
CocrystalBioavailabilityEffluxChemistryPermeability (electromagnetism)Intestinal permeabilityMolecular dynamicsSolubilityAcetazolamideChromatographyPharmacologyOrganic chemistryBiochemistryMembraneMoleculeComputational chemistryHydrogen bondImmunologyAnesthesiaMedicineBiologyCrystallography and molecular interactionsProtein Structure and DynamicsBiochemical effects in animals