Al-Kimia
Vol 10 No 2 (2022): DECEMBER

Molecular Docking of Michelia alba Leaves Active Compounds Against Human Epidermal Growth Factor Receptor 2 (HER-2)

Isman, Felysia (Unknown)
Pratama, Paundra (Unknown)
Fadlan, Arif (Unknown)



Article Info

Publish Date
25 Dec 2022

Abstract

Breast cancer characterized by overexpression of the human epidermal growth factor receptor-2 (HER-2) and is a deadly disease worldwide. Chemotherapy with drugs targeting HER-2 is less effective and shows various drawbacks. This study aimed to study anticancer potential of active compounds contained in Michelia alba through molecular docking against HER-2. The molecular docking study was performed toward HER-2 receptor (PDB: 3PP0) containing 30Q native ligand with MCULE. The results showed that cis-linalool oxide, trans-linalool oxide, linalool, β-elemena, α-humulene, and nerolidol contained in M. alba leaves had lower docking scores than quercetin as control. Nerolidol showed the lowest docking score among all compounds. The active compounds in the leaves of M. alba have the potential as a HER-2 inhibitor in silico.

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Journal Info

Abbrev

al-kimia

Publisher

Subject

Chemistry

Description

Al-Kimia is a journal of chemistry that published by Department of Chemistry, Faculty of Science and Technology UIN Alauddin Makassar. The journal is published twice a year on January-June and July-December. This journal encompasses original research articles in all aspects of chemistry and related ...