Paper Citing NAMD - Abstract
Suyetin, M. V.; Vakhrushev, A. V.
Temperature-sensitive nanocapsule for drug delivery
MICRO & NANO LETTERS, 6:39-42, JAN 2011
One of the most important applications of nanotechnology is to discover systems for targeted delivery of drugs, that is, designing nanocapsules (nanocontainers). Such nanocapsules have to take effect only in strictly localised areas to avoid drug action on healthy cells. The processes of doxorubicin storage and ejection by the carbon nanocapsule for drug delivery are studied by the method of molecular dynamics. The nanocapsule discussed consists of different nanotubes: (40,40), (10,10), (20,20) and (15,15) joint with each other by pentagonal and heptagonal rings. Nanocapsule stores doxorubicin molecule at normal human body temperature - 309.75 K (36.6 degrees C). The doxorubicin molecule is ejected owing to heating and further expansion of the gas inside the nanocapsule. The gas pushes the fullerene-piston, which ejects the doxorubicin molecule out of the nanocapsule. The temperature required for doxorubicin ejection is 316.75 K (43.6 degrees C). The temperature elevation can be reached with infrared radiation.
