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

Poerwono, Hadi; Sulistyowati, Melanny Ika; Pratama, Mohammad Rizki Fadhil

doi:10.21608/ejchem.2024.233232.8707

	6-aminomethylpinostrobin Derivatives as Anti-breast Cancer: In Silico Insight
Egyptian Journal of Chemistry
Volume 67, Issue 7, July 2024, Page 71-81 PDF (1.62 MB)
Document Type: Original Article
DOI: 10.21608/ejchem.2024.233232.8707
View on SCiNiTO
Authors
Hadi Poerwono ¹; Melanny Ika Sulistyowati ¹; Mohammad Rizki Fadhil Pratama ²
¹Department of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Jl Dr Ir H Soekarno Mulyorejo, Surabaya 60115, East Java, INDONESIA
²Doctoral Program of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Jl Dr Ir H Soekarno Mulyorejo, Surabaya 60115, East Java, INDONESIA
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.
Keywords
6-aminomethylpinostrobin; breast cancer; EGFR; HER2; molecular docking


Statistics Article View: 152 PDF Download: 12