1. Synthesis of scaberol C amino acid ester derivatives with anti-cancer activity.
- Author
-
Li CL, Han Z, Luo DY, Ren H, Ye L, Yao GD, and Liu QB
- Subjects
- Humans, Molecular Structure, Drug Screening Assays, Antitumor, Cell Line, Tumor, Carcinoma, Non-Small-Cell Lung drug therapy, Lung Neoplasms drug therapy, Molecular Dynamics Simulation, Antineoplastic Agents pharmacology, Antineoplastic Agents chemistry, Antineoplastic Agents chemical synthesis, ErbB Receptors antagonists & inhibitors, ErbB Receptors metabolism, Molecular Docking Simulation, Amino Acids chemistry, Amino Acids pharmacology, Esters pharmacology, Esters chemistry
- Abstract
A series of amino acid ester trifluoroacetate derivatives was synthesized from scaberol C. They were screened for their inhibitory activity against Non-Small Cell Lung Cancer (NSCLC) cells. Among them, compound 2 l showed significant cytotoxicity against A549 and H460 cells (IC
50 ), and was more active than cisplatin (DDP). The epidermal growth factor receptor (EGFR) was overexpressed in NSCLC, which was the target of multiple cancer therapies and a strong prognostic indicator. Our previous studies reported that the target of scaberol C derivatives against NSCLC cells was EGFR. And then molecular docking analysis and molecular dynamics (MD) simulations indicated that 2 l can stably and covalently bind to the EGFR target protein.- Published
- 2025
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