Volume 3

January-March 2011

Molecular modeling of inclusion complex of aceclofenac with β-cyclodextrins

Kamal Dua, Kavita Pabreja, Vinny Lather

Abstract:
Aceclofenac (AF) is a new generational non-steroidal anti-inflammatory drug showing effective anti-inflammatory and analgesic properties with a good tolerability profile in a variety of painful conditions like ankylosing spondylitis, rheumatoid arthritis and osteoarthritis. Aceclofenac is very slightly soluble in water and therefore an attempt has been made to prepare inclusion complexes of aceclofenac with β-cyclodextrin (β-CD) and to explore the possibility of its molecular arrangement using molecular modeling and structural designing. The results indicated the relative energetic stability of the β-CD dimer-AF complex as compared to β-CD monomer-AF. Such molecular-modeling studies can be employed as an additional tool to support the formation of stable molecular inclusion complexation of any water insoluble drug complexed with cyclodextrins.

Keywords: Aceclofenac, β-cyclodextrin, Molecular, Modeling.