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All Journal Indonesian Journal of Cancer Chemoprevention Jurnal Bioteknologi & Biosains Indonesia (JBBI) Jurnal Bioteknologi & Biosains Indonesia
Zahra, Miralda
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Environmental Science Health Professions Medicine & Pharmacology

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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.
RECENT UPDATE OF ZERUMBONE AS ANTI-COLON CANCER AGENT: A REVIEW Sarmoko, Sarmoko; Fauziyya, Riri; Zahra, Miralda; Suprahman, Nisa Yulianti; Auli, Winni Nur; Ashari, Arif
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 2 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.9338

Abstract

Colorectal cancer (CRC) remains a leading cause of cancer-related deaths worldwide, with limited effective therapies due to drug resistance and adverse effects. Zerumbone, a sesquiterpene isolated from Zingiber zerumbet Smith, has emerged as a promising natural anticancer agent. This review examines zerumbone's anti-colorectal cancer properties, including induction of apoptosis and cell cycle arrest, inhibition of invasion and metastasis, anti-angiogenic activity, and anti-inflammatory effects. Additionally, zerumbone demonstrates antioxidant properties, modulates gut microbiota composition, and targets multiple signaling pathways involved in CRC pathogenesis. Structure-activity relationship studies reveal the critical role of the α,β-unsaturated carbonyl group in its bioactivity. Despite promising preclinical evidence, clinical validation remains necessary to establish zerumbone's therapeutic potential for colorectal cancer management.
RECENT UPDATE OF ZERUMBONE AS ANTI-COLON CANCER AGENT: A REVIEW Sarmoko, Sarmoko; Fauziyya, Riri; Zahra, Miralda; Suprahman, Nisa Yulianti; Auli, Winni Nur; Ashari, Arif
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 2 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.9338

Abstract

Colorectal cancer (CRC) remains a leading cause of cancer-related deaths worldwide, with limited effective therapies due to drug resistance and adverse effects. Zerumbone, a sesquiterpene isolated from Zingiber zerumbet Smith, has emerged as a promising natural anticancer agent. This review examines zerumbone's anti-colorectal cancer properties, including induction of apoptosis and cell cycle arrest, inhibition of invasion and metastasis, anti-angiogenic activity, and anti-inflammatory effects. Additionally, zerumbone demonstrates antioxidant properties, modulates gut microbiota composition, and targets multiple signaling pathways involved in CRC pathogenesis. Structure-activity relationship studies reveal the critical role of the α,β-unsaturated carbonyl group in its bioactivity. Despite promising preclinical evidence, clinical validation remains necessary to establish zerumbone's therapeutic potential for colorectal cancer management.
Co-Authors Agustin, Lanita Alsadila, Kalista arif ashari Fauziyya, Riri Fazila, Safia Nisa Yulianti Suprahman Pane, Esteria Christina Sarmoko Sarmoko Sukrasno Sukrasno Winni Nur Auli