Synthesis, antitumor activity, and molecular docking of (-)-epigallocatechin-3-gallate-4β-triazolopodophyllotoxin conjugates

J Asian Nat Prod Res. 2021 Aug;23(8):772-780. doi: 10.1080/10286020.2020.1786066. Epub 2020 Jul 3.

Abstract

Two new (-)-epigallocatechin-3-gallate-4β-triazolopodophyllotoxin conjugates (7 and 8) were synthesized and evaluated for biological activity. Compound 8 showed highly potent anticancer activity against A-549 cell line with IC50 of 2.16 ± 1.02 μM, which displayed the highest selectivity index value (SI = 14.5) in A-549 cells. Molecular docking indicated that compound 8 could bind with the active site of Top-II. Therefore, compound 8 might be a promising candidate for further development.

Keywords: EGCG; Podophyllotixin; antitumor activity; click reaction; molecular docking.

MeSH terms

  • Antineoplastic Agents* / pharmacology
  • Catechin* / analogs & derivatives
  • Molecular Docking Simulation
  • Molecular Structure

Substances

  • Antineoplastic Agents
  • Catechin
  • epigallocatechin gallate