In silico Computational Study of Cinnamon (Cinnamomum verum) Bioactive Compounds as Cancer-Immunotherapy Drug Candidate Targeting RAS-JAK-ERK Signaling Pathway to Inhibit the Programmed Death Protein Ligand 1 (PD-L1) Expression

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Wira Eka Putra, Sustiprijatno, Arief Hidayatullah, Diana Widiastuti, Muhammad Fikri Heikal

2025 Journal of the Mexican Chemical Society Vol. 69 Issue 4 Article Cited by 0 Quartile

Abstract

Immunotherapy is the current and an alternative therapy option for cancer. Targeting PD-L1 expression provides one approach for limiting cancer progression. Cinnamon is a plant with medicinal properties that is also commonly used as a spice. Previous study indicates that cinnamon has multiple therapeutic effects because it is utilized to treat a variety of diseases. The purpose of this research is to examine the potential of bioactive compounds derived from cinnamon as potential cancer immunotherapy agents through the inhibition of PD-L1 expression. In the present investigation, in silico approaches were used, which included molecular docking and predicting the biological activity of cinnamon bioactive compounds. According to the findings, the active compound of cinnamon was effective and had the potential to inhibit the JAK protein, but not RAS or ERK. Furthermore, according to the biological activity predictions, cinnamon bioactive compounds contribute as cancer fighting agents by having high Pa values for several parameters such as antineoplastic, apoptosis agonist, BRAF expression inhibitor, JAK2 expression inhibitor, and Myc inhibitor also low Pa values for M-CSF agonists. Finally, more detailed research on cinnamon bioactive compounds, particularly caryophyllene, is required. © 2025, Sociedad Química de México.

Affiliations

Biotechnology Study Program, Department of Applied Sciences, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia; Research Center for Applied Botany, National Research and Innovation Agency, West Java, Indonesia; Health Governance Initiative, United Nations Development Programme Indonesia, Eijkman-RSCM Building, Jakarta, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Science, Universitas Pakuan, West Java, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, East Java, Indonesia