Study of Mixed Lipid Bilayer System using Molecular Dynamics Simulation

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Choi, Jae Hyung
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For most of the pharmaceutical industry’s existence, there have been many efforts to develop a cure for treating cancer. However, we are still years away from any possible cure for cancer, and available treatments have many obstacles to overcome. Specifically, chemotherapy has significant issues in delivering the required dosage of drugs to the cancer site. One of the disadvantages is that large amounts of drugs are required to be injected in order to overcome various obstacles including the circulatory system. However, due to toxicity, there is a limitation on the administered dosage allowed. To solve this problem, smart drug delivery systems have been developed. Encapsulating chemotherapy drugs inside synthesized carriers such as liposomes can reduce toxicity by shielding the drug from contacting healthy cells. One of the goals is to create a type of release mechanism at the cancer site. Releasing a chemotherapy drug at a specific site will make it possible to deliver appropriate doses of drugs without causing high toxicity. To study how carriers act inside the body, Molecular Dynamics (MD) simulation can be incorporated.
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