Development of erythrina-based PARP-1/FTase dual-target inhibitors against lung cancer epithelial-mesenchymal transition (EMT) in vivo and in vitro

Bioorg Chem. 2024 Jul:148:107480. doi: 10.1016/j.bioorg.2024.107480. Epub 2024 May 19.

Abstract

A novel series of erythrina derivatives as PARP-1/FTase inhibitors were synthesized, and evaluated for their biological activities. Compound T9 had excellent inhibitory effects on cell viability (A549: IC50 = 1.74 μM; A549/5-Fu: IC50 = 1.03 μM) and in vitro enzyme activities (PARP-1: IC50 = 0.40 μM; FTase: IC50 = 0.067 μM). Molecular docking and point mutation assays demonstrated the interaction of compound T9 with key amino acid residues. The compound T9 exhibited potent anti-proliferation and anti-migration capabilities against A549 and A549/5-Fu cells. PCR array and western blot results showed that compound T9 could effectively inhibit EMT-related proteins in A549 and A549/5-Fu cells, thereby inhibiting the development of lung cancer. Importantly, compound T9 could significantly inhibit tumor growth in the A549 xenograft tumor model (TGI = 65.3 %). In conclusion, this study was the first presentation of the concept of dual-target inhibitors of the PARP-1/FTase enzymes. It also provides the basis for further research and development of novel PARP-1/FTase inhibitors.

Keywords: Anti-lung cancer; Drug discovery; Erythrina; PARP-1/FTase inhibitors.

MeSH terms

  • Animals
  • Antineoplastic Agents* / chemical synthesis
  • Antineoplastic Agents* / chemistry
  • Antineoplastic Agents* / pharmacology
  • Cell Movement / drug effects
  • Cell Proliferation* / drug effects
  • Cell Survival / drug effects
  • Dose-Response Relationship, Drug*
  • Drug Screening Assays, Antitumor*
  • Epithelial-Mesenchymal Transition* / drug effects
  • Erythrina* / chemistry
  • Humans
  • Lung Neoplasms* / drug therapy
  • Lung Neoplasms* / pathology
  • Mice
  • Mice, Inbred BALB C
  • Mice, Nude
  • Molecular Docking Simulation
  • Molecular Structure
  • Neoplasms, Experimental / drug therapy
  • Neoplasms, Experimental / metabolism
  • Neoplasms, Experimental / pathology
  • Poly (ADP-Ribose) Polymerase-1* / antagonists & inhibitors
  • Poly (ADP-Ribose) Polymerase-1* / metabolism
  • Poly(ADP-ribose) Polymerase Inhibitors / chemical synthesis
  • Poly(ADP-ribose) Polymerase Inhibitors / chemistry
  • Poly(ADP-ribose) Polymerase Inhibitors / pharmacology
  • Structure-Activity Relationship

Substances

  • Poly (ADP-Ribose) Polymerase-1
  • Antineoplastic Agents
  • PARP1 protein, human
  • Poly(ADP-ribose) Polymerase Inhibitors