[RESEARCH NOTE]
Philippine Journal of Science
153 (S1): 63-71, Nuclear Science and Technology
ISSN 0031 – 7683
Date Received: 12 MAY 2023
HRAS as a New Target by Radioprotector WR-2721 (Amifostine) Based on Inverse Molecular Docking
Custer C. Deocaris1*, Earl Joseph V. Acuña2, Abegail P. Paton-og2, Joann L. Talamisan2, Lourdes V. Alvarez2, Arcibel B. Bautista2, Julie Charmain O. Bonifacio2, Malona V. Alinsug1, and Chester C. Deocaris2
1Philippine Nuclear Research Institute, Department of Science and Technology, Central Avenue, Diliman, Quezon City, Philippines 2Polytechnic University of the Philippines, Sta. Mesa, Manila, Philippines
*Corresponding author: ccdeocaris@pnri.dost.gov.ph
Deocaris C et al. 2024. HRAS as a New Target by Radioprotector WR-2721 (Amifostine) Based on Inverse Molecular Docking [Research Note]. Philipp J Sci 153(S1): 63–71.
ABSTRACT
Amifostine is the first US FDA-approved radioprotector for radiotherapy and acute ionizing radiation exposure. However, its molecular targets and potential therapeutic applications beyond its present use as a radioprotective agent remain largely unexplored. This study aimed to identify molecular targets for amifostine and explore its other potential therapeutic applications. A reverse screening method to identify gene targets revealed that HRAS is a potential new drug target. Based on molecular docking analysis, amifostine could bind to the active cavity of HRAS through hydrogen bonds, van der Waals interactions, and charge-charge interactions. Given that upregulation of HRAS is a hallmark in the progression of bladder and kidney cancers, our present study offers a new perspective on repurposing the compound as a chemotherapeutic agent for these types of cancer.
Keywords: amifostine, chemotherapeutic agent, gene targets, molecular docking, oncogene, radioprotectors