María Inés Nicolás-Vázquez

Quantum Theoretical, Chemo-Computational, and Comparative Molecular Coupling Studies of Two Enantiomeric Naphthoquinones, Alkannin and Shikonin, and Their Corresponding Indole Derivatives

The use of computational tools has become widespread in drug discovery as an effective approach to guide the development of new therapeutic agents, including potential cancer drugs. In addition, plant-derived secondary metabolites have attracted considerable interest as a valuabl...