Molecules· 2026Q1

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

Adriana Lizbeth Rivera Espejel, Sebastian Buendia Lira, René Miranda Ruvalcaba, René Gerardo Escobedo-González et al.

0citations
Q1SCImago
2026year

Short summary

Indole derivatives of naphthoquinones alkannin and shikonin show enhanced binding affinity for cancer-related enzymes PARP-1 and COX-2, with alkannin and its indole derivative outperforming the drug naproxen against COX-2.

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