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In Silico Evaluation of PAMAM Dendrimers as Nanocarriers for Targeted Carmustine Delivery in Glioma Therapy

Authors :

Noora Shaerzadeh¹ Maryam Azimzadeh Irani² Yeganeh Abbasian³

1- دانشگاه شهید بهشتی 2- دانشگاه شهید بهشتی 3- دانشگاه شهید بهشتی

Keywords :

PAMAM dendrimers،Carmustine،Nanocarriers،Drug delivery،Glioma،Molecular docking

Abstract :

PAMAM dendrimers are hyperbranched, monodisperse nanopolymers extensively studied for brain-targeted drug delivery, particularly in glioma treatment. Although Carmustine is an effective anticancer agent for gliomas, its use in combination with PAMAM dendrimers as a nanocarrier has not been thoroughly investigated. In this study, we explored the potential of PAMAM dendrimers as nanocarriers for the targeted delivery of carmustine. The 3D structures of PAMAM dendrimer generations 1 to 6 were constructed using the Build Dendrimer module in Material Studio and geometry-optimised with the Forceite tool. The structure of carmustine was selected from PubChem (CID: 2578). Molecular dockings were performed using AutoDock4. Our results showed that PAMAM Generations 5 and 6 had the most favorable binding energies with carmustine, with values of -4.89 and -4.09 kcal/mol, respectively. These findings suggest that higher-generation PAMAM dendrimers exhibit stronger binding affinities and more stable interactions with carmustine compared to lower generations, indicating their potential as effective nanocarriers for carmustine delivery.