Abstract
Host-guest inclusion complexes between R/S-omeprazole and β-cyclodextrin has been modeled using ONIOM2 (B3LYP/6-31g(d):PM3) method. Based on the value of binding energy obtained from the computational modeling, it was found that inclusion complex of R-omeprazole with β-cyclodextrin is more stable than the inclusion complex of S-omeprazole with β-cyclodextrin, moreover R/S-omeprazole can form stable inclusion complex with β-siklodekstrin by ratio of host : guest equal to 2 : 1. Based on the value of thermodynamic parameters, the formation of inclusion complex between R/S-omeprazole with β-cyclodextrin is an enthalpy driven process.
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.
