title: Host-guest Inclusion Complexes between Mitiglinide and the Naturally Occurring Cyclodextrins α, β, and γ: A Theoretical Approach.
abstract: OBJECTIVE
  The present study is aimed to study the host-guest inclusion complexation of the naturally occurring cyclodextrins (CDs), namely; (α-CD,β-CD, and γ-CD) with mitiglinide (MIT).
  
  
  METHODS
  Host-guest inclusion complexation was simulated using semi-empirical PM3 method.
  
  
  RESULTS
  The obtained results clearly indicate that the complexes formed are energetically favored in the presence of γ-CD (Ecomp = -17.884 kcal/mol) of the optimal configurations of (1:1) MIT/γ-CD inclusion complexes. Moreover, the results obtained reveal that the formation of more stable MIT/γ-CD complex compared to MIT/α-CD or MIT/β-CD complexes is primarily due to differences in intermolecular hydrogen bonding.
  
  
  CONCLUSIONS
  The present theoretical results may be informative to scientists who are devoting themselves to developing effective methods for enhancing the drug solubility.
authors.affiliation: Pharmacy Program, Batterjee Medical College for Science and Technology (BMC), 21442 Jeddah, Kingdom of Saudi Arabia.
authors.forename: Khaldun Mohammad
authors.initials: KM
authors.lastname: Al Azzam
authors.affiliation: School of Chemical Sciences, Universiti Sains Malaysia (USM), 11800 Penang, Malaysia.
authors.forename: Ermafatiha
authors.initials: E
authors.lastname: Muhammad
keywords: Cyclodextrins; Host-guest inclusion; Mitiglinide; PM3 method; Semi-empirical