6-aminomethylpinostrobin Derivatives as Anti-breast Cancer: In Silico Insight

Hadi Poerwono, Melanny Ika Sulityowati, Mohammad Rizki Fadhil Pratama

Research output: Contribution to journalArticlepeer-review

Abstract

Pinostrobin, a flavanone isolated from various medicinal plants, is known to have various potential pharmacological activities, one of which is anti-breast cancer. Derivatization of pinostrobin to increase its activity has been reported previously but has never been carried out for aminomethyl derivatives. This study aims to determine the 6-aminomethylpinostrobin derivative with the best potential as anti-breast cancer through in silico studies. The method used was molecular docking using AutoDock Vina, with 10 6-aminomethylpinostrobin derivatives as test ligands and five receptors related to breast cancer. The docking results showed that 6-aminomethylpinostrobin derivatives showed the best potential against HER2 and EGFR receptors among the five receptors. Meanwhile, the derivatives with the best potential are 6-(N-dicyclohexylamine)methylpinostrobin and 6-(N-diphenylamine)methylpinostrobin, with potential affinity exceeding lapatinib on HER2. In conclusion, 6-aminomethylpinostrobin derivatives show promising potential as anti-breast cancer through HER2 inhibition and need to be proven in further studies both in vitro and in vivo.

Original languageEnglish
Pages (from-to)71-81
Number of pages11
JournalEgyptian Journal of Chemistry
Volume67
Issue number7
DOIs
Publication statusPublished - Jul 2024

Keywords

  • 6-aminomethylpinostrobin
  • EGFR
  • HER2
  • breast cancer
  • molecular docking

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