Rational Design of New Phosphodiesterase Inhibitors: An In Silico Approach Oriented Toward Alzheimer's Disease

Alzheimer’s disease (AD) is the leading cause of dementia worldwide and, dueto the limited efficacy of current treatments, phosphodiesterase (PDE) has emerged as apromising new therapeutic target. In this context, this study proposed the developmentof two novel PDE inhibitors using in silico approaches. Docking results revealed highbinding affinities and effective enzyme inhibition. Recurring interactions with residuesin the PDE active site suggest a stable inhibition mechanism, reinforcing the potentialof the designed compounds as promising candidates for AD treatment, while alsoproviding valuable insights for the rational development of new therapeutic agents