Exploring the Chemopreventive Potential of Traditional Indonesian Tempeh against Colorectal Cancer: A Metabolomic and Molecular Docking Approach
Abstract
Colorectal cancer is a leading cause of death globally, characterized by abnormal cellular growths in the colon and rectum. The Leukotriene A4 Hydrolase (LTA4H) enzyme serves as a promising therapeutic target due to its role in driving inflammation and cancer progression. Side effects of conventional therapies prompt the search for alternatives from local functional foods like tempeh; however, research on the colorectal anticancer potential of various Indonesian non-soy tempeh variants remains sparse. study aimed to identify the metabolite profiles of four distinct Indonesian traditional tempeh types and evaluate their in-silico potential as inhibitor candidates against the LTA4H colorectal cancer protein. The examined samples included tempeh besengek (velvet bean), menjes kacang (peanut), menjes (Malang soy curd residue), and gembus (Gunungkidul soy curd residue). Metabolomic profiling was performed utilizing Fourier Transform Infrared (FTIR) spectroscopy and Liquid Chromatography High Resolution Mass Spectrometry (LC-HRMS). Ligand-protein interactions were screened via blind docking using the CB-Dock2 server against the LTA4H target protein (PDB ID: 3U9W). FTIR and LC-HRMS analysis coupled with chemometrics (PCA and PLS-DA) successfully demonstrated clear cluster separations, indicating significant chemical profile variations among the tempeh types. Out of 22 significant metabolites selected from ANOVA, four distinct compounds representing each tempeh fulfilled Lipinski's Rule of Five and exhibited the highest binding affinities for LTA4H. These compounds were 1-Linoleoyl glycerol (tempeh besengek; binding affinity -9.3 kcal/mol), daidzein (tempeh menjes; -8.4 kcal/mol), monoolein (tempeh menjes kacang; -7.8 kcal/mol), and hexadecanamide (tempeh gembus; -7.7 kcal/mol). These values closely approach or surpass the positive control Bullatalicin (-9.0 kcal/mol), with visualizations verifying stable binding poses within the receptor's active pocket. All four local tempeh varieties possess unique chemical signatures and hold substantial potential as natural chemopreventive agents against colorectal cancer via LTA4H inhibition, with tempeh besengek (1-Linoleoyl glycerol) demonstrating the strongest inhibitory potential.
Keywords
Data Availability Statement
The data that support the findings of this study are available from the corresponding author upon reasonable request.
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