| Simulation Study of Cisplatin Drug Adsorption on Fullerene (C60) |
| کد مقاله : 1216-ICOC |
| نویسندگان |
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بهزاد حقیقی *1، وحید سخنوران1، ناهید چاکسر2 1دانشگاه نیشابور 2دانشجوی دانشگاه نیشابور |
| چکیده مقاله |
| Abstract The development of novel nanostructures for targeted drug delivery systems has attracted considerable attention in the field of nanomedicine. Fullerene, a spherical molecule composed of 60 carbon atoms, significant interest due to its relatively easy synthesis, high stability [1], and their possible application in biomedicine [2-3]. Also, fullerenes represent remarkably complex and diverse molecular systems, whose potential has been investigated in many research field, due to their capacity for encapsulating atoms or molecules [4]. Cisplatin is one of the best and first metal-based chemotherapeutic drugs that has a most potential and widely used drugs for the treatment of several solid cancers [5]. To the best of our knowledge, no simulation data’s are reported for the cisplatin drug adsorption on the fullerene (C60). Therefore, in this work, we were used Monte Carlo simulations to compute the adsorption isotherms of cisplatin drug outside the C60 at different temperatures (298.15 and 310.15 K). The total simulation steps are 5×106, and the first 2.5×106 steps are for making the system in equilibrium, while the remaining is used for obtaining different thermodynamic properties. The simulation results predict a classic Langmuir-type I adsorption isotherm, which approaches saturation at around 1 atm. It is obvious that the cisplatin adsorption amounts on the C60 decreased with increasing temperature. The C60 nanostructure does indicate relatively good cisplatin drug absorption. |
| کلیدواژه ها |
| Keywords: Adsorption, Simulation, Fullerene |
| وضعیت: پذیرفته شده |