نوع مقاله : مقاله پژوهشی
عنوان مقاله English
نویسندگان English
Amiodarone (AMD) is an effective drug for treating cardiac arrhythmias, but its long-term use is limited due to side effects. Considering the importance of advanced drug delivery systems to enhance efficacy and reduce side effects of this drug, this study investigated the formation of inclusion complexes (ICs) between the drug and two types of cyclodextrins (CDs), natural βCD and acetylated βCD (AC-βCD), using molecular docking and molecular dynamics simulation methods. The results showed that the AC-βCD: AMD IC had a more negative binding energy, more hydrogen bonds, and higher stability in an aqueous environment compared to the βCD: AMD IC. The analysis of radial distribution function, center of mass distance, and interaction energy further emphasized the advantage of βCD derivatization for designing more effective drug delivery carriers. Overall, these nanocarriers, particularly AC-βCD, show great potential for the development of targeted drug delivery systems and may enhance the therapeutic efficacy of AMD while reducing its side effects.
کلیدواژهها English
