Abstract

Molecular Interaction Studies of Chitosan Cross-linked Compounds as Drug Delivery Substrate for Anticancer Agents

Chitosan is known for its absorption and adhesion property and it is a non-toxic biodegradable hetero polymer. It has a strong affinity for water and high degree of solubility in acidic medium. In addition, chitosan hydrogels showed low mechanical strength and minimum ability to control the delivery of encapsulated compounds. And hence, in this investigation a set of compounds cross linked with Chitosan was screened for anticancer agent using computational technique (molecular docking)
against NOS enzyme (PDB ID: 4NOS). The result was interesting as majority of the compounds screened turned up with favorable molecular interaction and binding affinity as evidenced from the docking score. Furthermore the molecular interaction analysis represents the cross linked compounds possessed heavy molecular interaction at the active site residue of the enzyme. Thus, Chitosan cross linked compounds target the specific active site residue and hence can be used in future for drug delivery.


Author(s):

Parimal Chandra Bhomick, Salam Pradeep Singh*,Chitta Ranjan Deb, Dipak Sinha, Lakshmi Narayan
Kakati and Bolin Kumar Konwar



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