Interaction of Trofinetide with C۶۰ Fullerene; A Quantum Calculation Study

This study utilizes quantum mechanical calculations with the B۳LYP/۶-۳۱۱+G approach to analyzeTrofinetide's structural and electronic properties for treating Rett syndrome. We examine molecular geometry,vibrational frequencies, and electronic structure, revealing insights into its chemical properties. Analysis of bondlengths, angles, dipole moments, and the HOMO-LUMO gap aids drug discovery for neurological disorders

کلیدواژه ها:

Rett syndrome ، Trofinetide ، HOMO-LUMO Gap ، DFT ، B۳LYP/۶-۳۱۱+G ، Fullerene