6-aminomethylpinostrobin Derivatives as Anti-breast Cancer: In Silico Insight | ||
| Egyptian Journal of Chemistry | ||
| Volume 67, Issue 7, July 2024, Pages 71-81 PDF (1.62 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2024.233232.8707 | ||
| Authors | ||
| Hadi Poerwono* 1; Melanny Ika Sulistyowati1; Mohammad Rizki Fadhil Pratama2 | ||
| 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 | ||
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