Dopamine Family Complexes With β-Cyclodextrin: Molecular Docking Studies

Abstract

This study concerns the molecular docking of dopamine family compounds in the β-cyclodextrin (β-CD) to establish the most critical driving forces in complexation. Our method is called “Determination of driving forces of inclusion complexes using generated surfaces” since it is based on the contact between host and guest molecules observed on distinct generated surfaces. These surfaces allow us to examine hydrophobic interactions, hydrogen interactions, electrostatic potential and dipole moment. The results found in this article confirm the experimental results. Finally, we suggest a number of molecules that can form stable inclusion complexes.

Keywords:

• Dopamine family
• β-CD
• inclusion complex
• docking molecular
• hydrophobic interactions
• Hbond

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This article was supported by the Algerian Ministry of Higher Education and Scientific Research.