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Paper Information

Journal:   JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY   SPRING 2010 , Volume 7 , Number 1; Page(s) 15 To 21.
 
Paper: 

THEORETICAL STUDY OF DRUG DELIVERY ABILITY OF CARBON NANOTUBE

 
 
Author(s):  DALILI MANSOUR N.*, ZARE K., ELSAGH A.
 
* DEPARTMENT OF CHEMISTRY, RASHT BRANCH, ISLAMIC AZAD UNIVERSITY, RASHT, IRAN
 
Abstract: 
Nowadays application of nanotubes in biology and medicinal science is more investigated. Nanotubes can pass through cell walls and transport and release drugs in special tissues. The purpose of this paper is to investigate the interaction of a nanotube having hydroxyl functional groups (OH) with an anticancer agent. In this work transporting of an anticancer drug named 2- (2-amino 6, 7-dimethyl Pteridine 4-ylamino) -ethanol by a zigzag nanotube with 60 C atoms (5, 0) is investigated. The methods used are quantum mechanics and semiempirical.
Two composites of the drug and nanotube are under studying: 1-compose of drug and nanotube's wall 2-compose of drug and one of the two heads of nanotube. At first some hydroxylic functional groups are put on the head of nanotube and then an etheric bond formed between agents. The results show that the composite is more stable than the single agent. Also binding of drug with the head of the nanotube is more stable than the wall. In the other case the interaction between a carbon nanotube (9, 0) and Levothyroxine as a drug is investigated. All of above composites are investigated by semiempirical methods and Molecular Mechanics/Molecular Dynamics simulation in body temperature (310 K) and their heat capacities are obtained in water, methanol and ethanol solutions separately. The results show that by increasing initial temperature in most of the cases heat capacity increases. Also it can be seen that by increasing of solvent molecular mass, the heat capacity increases too.
 
Keyword(s): SIMULATION, NANOTUBE, ANTICANCER DRUGS, LEVOTHYROXINE, DRUG DELIVERY
 
References: 
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