Research Article

DOI :10.26650/EurJBiol.2025.1557063 IUP :10.26650/EurJBiol.2025.1557063 Full Text (PDF)

Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking

Khairah Ansari, Priyesh Kumar, Devendrasinh Jhala

Objective: Colorectal cancer is a life-threatening condition. Karanjin, a furanoflavonol, has shown therapeutic potential against cancer. However, a comprehensive analysis of its mechanism of action is currently lacking. Hence, the primary objective of this study was to employ an integrated network pharmacology approach along with molecular docking to unravel the probable efficacy of karanjin in treating colorectal cancer.

Materials and Methods: Pharmacological assessments were performed using QikProp. Protein targets sourced from ChEMBL, Swiss target prediction, and PharmMapper were cross-referenced with colorectal cancer targets identified from GeneCards. A protein-protein interaction (PPI) network was generated using Cytoscape. Key targets were identified using cytoHubba. Functional insights were obtained through GO and KEGG analyses using DAVID. A Compound–Disease–Pathways–Targets Network was developed based on integrated data. Molecular docking was performed using YASARA. Finally, to validate the stability of the docked ligand-protein complexes, MD simulations were conducted.

Results: Karanjin met the ADME criteria and exhibited interactions with 270 targets, including 263 individuals linked to diseases. The topological analysis of the PPI network identified 24 targets. GO analysis yielded 20 terms, mainly associated with signal transduction, protein binding, and the cytosol. KEGG analysis identified 20 signalling pathways, with pathways in cancer being the most prominent. Using these data, Compound-Disease-Pathways-Targets network was constructed. Molecular docking and simulations highlighted strong interactions between AKT1 and HSP90AA1.

Conclusion: This study indicated that karanjin may exhibit anticancer properties against colorectal cancer via modulating PI3K-Akt signalling pathway. This study provides a building block for further research.

Keywords: Karanjin, Network Pharmacology, Molecular Docking, Molecular Simulation

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APA

Ansari, K., Kumar, P., & Jhala, D. (2019). Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking. European Journal of Biology, 0(0), -. https://doi.org/10.26650/EurJBiol.2025.1557063

AMA

Ansari K, Kumar P, Jhala D. Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking. European Journal of Biology. 2019;0(0):-. https://doi.org/10.26650/EurJBiol.2025.1557063

ABNT

Ansari, K.; Kumar, P.; Jhala, D. Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking. European Journal of Biology, [Publisher Location], v. 0, n. 0, p. -, 2019.

Chicago: Author-Date Style

Ansari, Khairah, and Priyesh Kumar and Devendrasinh Jhala. 2019. “Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking.” European Journal of Biology 0, no. 0: -. https://doi.org/10.26650/EurJBiol.2025.1557063

Chicago: Humanities Style

Ansari, Khairah, and Priyesh Kumar and Devendrasinh Jhala. “Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking.” European Journal of Biology 0, no. 0 (Mar. 2025): -. https://doi.org/10.26650/EurJBiol.2025.1557063

Harvard: Australian Style

Ansari, K & Kumar, P & Jhala, D 2019, 'Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking', European Journal of Biology, vol. 0, no. 0, pp. -, viewed 10 Mar. 2025, https://doi.org/10.26650/EurJBiol.2025.1557063

Harvard: Author-Date Style

Ansari, K. and Kumar, P. and Jhala, D. (2019) ‘Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking’, European Journal of Biology, 0(0), pp. -. https://doi.org/10.26650/EurJBiol.2025.1557063 (10 Mar. 2025).

MLA

Ansari, Khairah, and Priyesh Kumar and Devendrasinh Jhala. “Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking.” European Journal of Biology, vol. 0, no. 0, 2019, pp. -. [Database Container], https://doi.org/10.26650/EurJBiol.2025.1557063

Vancouver

Ansari K, Kumar P, Jhala D. Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking. European Journal of Biology [Internet]. 10 Mar. 2025 [cited 10 Mar. 2025];0(0):-. Available from: https://doi.org/10.26650/EurJBiol.2025.1557063 doi: 10.26650/EurJBiol.2025.1557063

ISNAD

Ansari, Khairah - Kumar, Priyesh - Jhala, Devendrasinh. “Identification of Karanjin’s Molecular Targets for Colorectal Cancer Treatment Using Network Pharmacology and Molecular Docking”. European Journal of Biology 0/0 (Mar. 2025): -. https://doi.org/10.26650/EurJBiol.2025.1557063

TIMELINE

Submitted	27.09.2024
Accepted	04.12.2024
Published Online	28.01.2025

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