Quantum mechanical calculations on Tolterodine drug

The study explored tolterodine's potential as a therapeutic drug for urinary incontinence, employingDensity Functional Theory (DFT) at the B۳LYP/۶-۳۱۱+G level. Calculations included molecular optimization, forceconstants, and analyses of electronic energy, vibrational modes, and structural parameters, providing insightsfor drug-nanoparticle interactions in targeted drug delivery systems

کلیدواژه ها:

Multiple Sclerosis (MS) ، Tolterodine ، HOMO-LUMO ، B۳LYP ، Density Functional Theory (DFT)