Abstract
The new generations of nano-devices successfully apply with great promise as drug carriers in the treatment of different diseases. The proposed model aims to determine the pharmacological targets and evaluate the bio-safety of usefulness of carbon nanotube conjugated with two different antiviral compounds, Acetylcholine and Ravastigmine, for treating Alzheimer disease. We also obtain the medicinal model mathematically to evaluate the interaction energy arising from encapsulation of each antiviral compound inside the single-walled carbon nanotube. Acetylcholine is modelled as two-connected spheres, while Ravastigmine has two possible structures which are an ellipsoid and cylinder, all interacting with the interior wall of single-walled carbon nanotubes with variant radii rc . Our calculations show that the single-walled carbon nanotube of radius rc greater than 3.391 Å that will accept both drugs which are quite closer to the recent findings.
Highlights
Research in nanobiotechnology has rapidly increased since the development of molecular dynamic simulations (MDSs) in 1980, X-ray crystallography and scanning tunneling microscope in 1982
Acetylcholine is modelled as two-connected spheres, while Ravastigmine has two possible structures which are an ellipsoid and cylinder, all interacting with the interior wall of single-walled carbon nanotubes with variant radii rc
We apply Lennard-Jones potential and the discrete-continuum approach to evaluate the interaction energy of each drug interacting inside SWCNTs with variant radii rc
Summary
Research in nanobiotechnology has rapidly increased since the development of molecular dynamic simulations (MDSs) in 1980, X-ray crystallography and scanning tunneling microscope in 1982. Nanobiotechnology is an interdisciplinary area combining the molecular biological approach with the micronanotechnology. This combination aims to design and develop new devices by ma-
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