The study of the salvation of paclitaxel in ionic liquids in the presence of biocompatible nano-particles using the molecular dynaimic simulation
Publish Year: 1397
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ISPTC21_078
تاریخ نمایه سازی: 30 دی 1397
Abstract:
Paclitaxel is an active agent against a broad types of tumor cells, including breast, ovarian, lung,head and neck cancers. A very strong anticancer agent produce from the Western yew tree [1].Here, we study the salvation of paclitaxel in ionic liquids by using the molecular dynamicsmethod by using NAMD package [2] and the visualizations were done by VMD.The studied ionic liquids include of methyl imidazoliumm, 1-methyl-3-methyl imidazoliummand 1-Ethyl-3-methyl imidazoliumm and chloride ion as anion. The paclitaxel and ionic liquidcomplex box dimensions was 120 Å and contains 1500 number of atoms. The system is contain1 paclitaxel and 5 paclitaxel in each box. The liquid ions are made of [MIM][Cl] and[MMIM][Cl].
Authors
F Esmailian
Department of Physics, Faculty of Basic Science, Azarbaijan Shahid Madani University, Tabriz, Iran- Molecular Simulation Lab. Azarbayjan Shahid Madani University, Tabriz, Iran
J Sardroodi
Department of Physics, Faculty of Basic Science, Azarbaijan Shahid Madani University, Tabriz, Iran- Molecular Simulation Lab. Azarbayjan Shahid Madani University, Tabriz, Iran
A Rastkar
Department of Chemistry, Faculty of Basic Science, Azarbayjan Shahid Madani University, Tabriz, Iran- Molecular Simulation Lab. Azarbayjan Shahid Madani University, Tabriz, Iran