Abstract
Amphiphilic materials can assemble into a wide variety of morphologies and have emerged as a novel class of candidates for drug delivery. Along with a large number of experiments reported, computational studies have been also conducted in this field. At an atomistic/molecular level, computations can facilitate quantitative understanding of experimental observations and secure fundamental interpretation of underlying phenomena. This review summarizes the recent computational efforts on amphiphilic copolymers and peptides for drug delivery. Atom-resolution and time-resolved insights are provided from bottom-up to microscopically elucidate the mechanisms of drug loading/release, which are indispensable in the rational screening and design of new amphiphiles for high-efficacy drug delivery.
Highlights
Among the conventional methods for cancer treatment, surgery physically removes tumor in human body, chemotherapy uses medicines to destroy cancer cells, and radiation exerts high-energy beam to kill or decline the growth of cancer cells (Kumar and Kumar, 2014)
This review summarizes the recent computational studies on amphiphilic copolymers and peptides for drug delivery
This review summarizes the recent representative computational studies for drug delivery in amphiphilic copolymers and peptides
Summary
Among the conventional methods for cancer treatment, surgery physically removes tumor in human body, chemotherapy uses medicines to destroy cancer cells, and radiation exerts high-energy beam to kill or decline the growth of cancer cells (Kumar and Kumar, 2014). Based on MD simulation, Kasimova et al proposed a method to potentially measure drug loading capability in a polymer micelle. DPD method has been commonly applied to simulate drug loading and delivery in amphiphilic copolymers.
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