Open access
Sep 2026
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 valuable source of bioactive compounds. Among t...
Adriana Lizbeth Rivera Espejel, Sebastian Buendia Lira, René Miranda Ruvalcaba et al.
· Molecules · 0 citations