Abstract
Ulcerative colitis is a subtype of inflammatory bowel disease with symptoms that progress from mild to severe. It has multiple treatment options, but requires effective monotherapy for its treatment. In this context, a theoretical study was conducted on the interaction of bismuth subsalicylate (BSS) with a bow-tie (DP) polyester dendrimer for use as a nanocarrier. The reactivity indices and frontier molecular orbitals indicate that these systems can interact. The complexes were formed through the interaction of the oxygens of the dendrimer with the bismuth of the BSS and also by hydrogen bonding. The ΔG values were > 0 kcal mol−1, which indicated that the systems are not spontaneous, although the values of adsorption energies (Eads) and enthalpy showed values < 0 kcal mol−1, showing that interactions can occur. Topological analyses based on the quantum theory of atoms in molecules allowed the characterization of molecular interactions. The interactions of Bi with O were partially covalent, and the hydrogen bonds (O…H) were classified as weak or moderate. Finally, the interactions between the nanocarrier and the drug had positive results, which can be attributed to the polyester dendrimer being a good nanocarrier for the release of BSS.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
