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All Journal Jurnal Penelitian Saintek Geo Media: Majalah Ilmiah dan Informasi Kegeografian Majalah Geografi Indonesia Indonesian Journal of Cancer Chemoprevention Jurnal Wilayah dan Lingkungan Jurnal Pendidikan Geografi: Kajian, Teori, dan Praktik dalam Bidang Pendidikan dan Ilmu Geografi Jurnal Geografi Stannum : Jurnal Sains dan Terapan Kimia JURNAL GEOGRAFI Geografi dan Pengajarannya Jurnal Pengabdian Masyarakat Bangsa
arif ashari
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Journal : Indonesian Journal of Cancer Chemoprevention

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Bioinformatic and Molecular Docking Study of Zerumbone and Its Derivates against Colorectal Cancer Fauziyya, Riri; Auli, Winni Nur; Suprahman, Nisa Yulianti; Sarmoko, Sarmoko; Ashari, Arif; Alsadila, Kalista; Agustin, Lanita; Fazila, Safia; Zahra, Miralda; Pane, Esteria Christina; Sukrasno, Sukrasno
Indonesian Journal of Cancer Chemoprevention Vol 14, No 1 (2023)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev14iss1pp39-48

Abstract

The prevalence of colorectal cancer (CRC) is ranked third among all cancer types in both men and women, highlighting the urgency for drug exploration. Zerumbone and its derivatives have gained attention for their ability to inhibit angiogenesis, invasion, and metastasis and have been tested for their efficacy against various cancer cells. This study aimed to investigate the potential targets and mechanism of action of zerumbone derivatives in colon cancer invasion and migration. Bioinformatic analysis was conducted using STITCH and STRING to identify potential target genes, and molecular docking was used to search for anticancer candidates from 20 zerumbone derivatives. The results revealed that six proteins were targeted by zerumbone derivatives, including XIAPBIR3 (1TFT), AKT1 (3O96), JAK2 (6VGL), HASP90AA (2XJX), MDM2 (4MDN), and XIAPBIR2 (4KJU). Compound 4 was found to have a lower binding energy than zerumbone as well as AZD5363 (pan-Akt inhibitor) when interacting with the protein target AKT1. This makes it the most promising candidate among the zerumbone derivatives for treating colorectal cancer. Further development, such as the addition of an amine functional group, is expected to improve the potency of this molecule through the formation of hydrogen bonds and other interactions with lower bond energy.Keywords: Bioinformatic, molecular docking, zerumbone derivatives, colorectal cancer.
Co-Authors Abdullah, Nurul Hakimah Che Abdussalam, Moch Agung, Ahmad Anggraria Agung, Ahmad Anggraria Jaya Agustin, Lanita Agustina, Naela Ulya Ahmad, Rizal Aji, Abdul Alrando, Raja Aksana Alsadila, Kalista Amalia Fadila Rosa Aminuyati Andika Setiawan, Andika Angelina, Glory Anggoro , Rahma Wangga Dwi Anggraini , Adelfia Sylvi Anggraini, Vianti Rista Anton Cesar Saputra Apriliani, Ester Aurell S, Nasheka Rajwaa Ayuwulanda, Aditya Azzahra, Raihana Bagas Syarifudin Bambang Saeful Hadi Bambang Saeful Hadi Bambang Syaeful Hadi Brotowiranti, Rayung W. Brotowiranti, Rayung Wulan Ciptati Clara, Cindy Moyna Demi Dama Yanti Dyah Respati Suryo Sumunar Edi Widodo Ervin, Muhamad Fauziyya, Riri Fazila, Safia Fitriana, Kamlia Nur Fitriya, Marsela Nur Fuad, Fatihin Nabiha Mohd Zekeri Ghifari, M Alvien Ghifari, M. Alvien Ginting, Arfa Sari Goreta Habeahan, Angelina Habibie , Luqmanul Hakim Hadi, Bambang S. Hartoyo, Mufid Rizki Hawa Purnama Celala Ary Cane Herlina, Idra Hervina Nur Awanda I Putu Mahendra Indarto Indarto Jamaludin, Syarif Kharisma Kharisma Kharisma, Kharisma Krisnawati, Linda Luqmanul Hakim Mario, Frisel Mariyam Mariyam Meilita, Dwi Muhammad Asrori Indra Wardoyo Muhammad Yogi Saputra Mukminan Nirwanto Nirwanto, Nirwanto Nisa Yulianti Suprahman Nugraha, Septa Putri Nurhadi Nurhadi Nurul Khotimah Olivia, Raisya A. Olivia, Raisya Arzety Pane, Esteria Christina Pastina, Henggis Pratama , Yoga Anjas Putranto, Reyhan Puji Putri , Agustin Hermaria Rahmat Kurniawan Razali, Muhammad Syafiq Refsya Azanti Putri Reswari, Az-Zahra A. Reswari, Az-Zahra Ardhana Rosa, Amalia Fadila Salma, Greace Nanda Putri Saputra, M. Yogi Saragih, Desi Sarmoko Sarmoko Savira, Adelia Veni Sholu Ratih Sihombing, Lisen Sihombing, Zoel Fresly Simamora, Benget Backtiar Sinaga, Hanzel Nomensen Siregar, Nonny Cristine Sitanggang , Sopan E. Solly Aryza Sriadi Setyowati Sriadi Setyowati Sudarmanto, Irwan Suhadi Purwantara Sukrasno Sukrasno Suparmini Suparmini Suparmini Suparmini Syarif Jamaludin Wardoyo, Muhammad Asrori Indra Windasari, Liska Winni Nur Auli Yanti, Demi Dama Yoga Anjas Pratama Yuangwidi, Kinanthi Purbaning Zahra, Miralda Zekeri, Fatihin Nabiha Mohd