Insilico modeling of chitosan as a drug delivery system

Ann Elizabeth Silviya, Kavitha G, K Narayanan Kutty, Krishnan Namboori P K


Computational modeling of polymeric nanoparticles as drug carriers have been extensively studied due to their varied functionalities, tunable structures and the capability of controlled drug release. Nano particulate polymeric drug delivery systems enable a cell specific targeting with negligible side effects and drug release based on change in physiological conditions. Eight common polymers are modeled and the various properties have been predicted. ADMET, QSAR, thermodynamic and electronic properties have been predicted and compared using SAR as well as quantum mechanical density functional methods. Comparison of the predicted properties suggests that chitosan, which is a natural polymer and has some advantages over others is a promising drug carrier candidate for tumor.


Drug delivery systems, chitosan, QSAR, quantum mechanical modeling

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