The study of the salvation of paclitaxel in ionic liquids in the presence of bio-compatible nano-particles using the molecular dynaimic simulation

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 dynamics method by using NAMD package [2] and the visualizations were done by VMD. The studied ionic liquids include of methyl imidazoliumm, 1-methyl-3-methyl imidazoliumm and 1-Ethyl-3-methyl imidazoliumm and chloride ion as anion. The paclitaxel and ionic liquid complex box dimensions was 120 Å and contains 1500 number of atoms. The system is contain 1 paclitaxel and 5 paclitaxel in each box. The liquid ions are made of [MIM][Cl] and [MMIM][Cl].

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