Quantum Mechanical Simulation of Bevacizumab Drug Interaction with C۶۰ Fullerene

In this study, quantum mechanical calculations were utilized to analyze the adsorption of theanticancer drug Bevacizumab on C۶۰ Fullerene as a nanocarrier in a simulated drug delivery system. Using theB۳LYP/۶-۳۱۱+G computational method, we extensively examined the molecular structure, bond lengths, bondangles, dipole moments, and HOMO-LUMO energy gap of Bevacizumab

کلیدواژه ها:

Cancer ، Bevacizumab ، HOMO-LUMO Gap ، DFT ، B۳LYP/۶-۳۱۱+G ، Fullerene