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All Journal Nusantara Science and Technology Proceedings
Dinda Naila Dhiya Salsabila
Study Program of Pharmacy, Institut Teknologi Sumatera, Indonesia
Agriculture, Biological Sciences & Forestry Chemical Engineering, Chemistry & Bioengineering Economics, Econometrics & Finance Engineering Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology

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Molecular Docking Analysis of Zerumbone Derivatives as XIAP-BIR3 Inhibitor for Anticancer Agent Winni Nur Auli; Nisa Yulianti Suprahman; Riri Fauziyya; Sarmoko; Arif Ashari; Safia Fazila; Qurrota A`yun Azzahrah; Romualdo Pasaribu; Putri Liswatini; Ihza Adzkiya Mubarak Al-Husni; Dinda Naila Dhiya Salsabila
Nusantara Science and Technology Proceedings Multi-Conference Proceeding Series F
Publisher : Future Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11594/nstp.2024.4602

Abstract

Cancer is the second most common cause of death worldwide. Common therapies used to treat cancer include radiation, chemotherapy, and surgery. However, resistance to treatment often gives a challenging problem, and new alternative therapies derived from natural compounds are needed. Zerumbone is terpenoid compound with various biological activities, including anti-tumor and anti-cancer. This study aims to investigate the activity of Zerumbone and its derivatives against the XIAP-BIR3 protein. The target protein used PDB ID: 4KMP as inhibitor of XIAP-BIR3. There are 21 zerumbon derivatives retrieved from published article. Docking of zerumbone derivatives was performed using Autodock 1.5.6. Molecular docking result showed derivative 6 of Zerumbone has potential as an anti-cancer agent with a binding energy of -7.84 kcal/mol; meanwhile, the reference inhibitor has a binding energy of -5.21 kcal/mol. These results of the study indicate that the development of inhibitor XIAP-BIR3 may be a potential strategy in cancer treatment and zerumbone derivatives are predicted to be potential candidates that can be analyzed further.
Co-Authors Arif Ashari Ihza Adzkiya Mubarak Al-Husni Nisa Yulianti Suprahman Putri Liswatini Qurrota A`yun Azzahrah Riri Fauziyya Romualdo Pasaribu Safia Fazila Sarmoko Winni Nur Auli