Eksplorasi Aktivitas Antikanker Tinta Cumi-Cumi (Loligo sp.) sebagai Terapi Multitarget Kanker Paru-Paru Jenis Non-Small Cell Lung Cancer: Studi In Silico

Ismail, Faizan Gibran (2024) Eksplorasi Aktivitas Antikanker Tinta Cumi-Cumi (Loligo sp.) sebagai Terapi Multitarget Kanker Paru-Paru Jenis Non-Small Cell Lung Cancer: Studi In Silico. Diploma thesis, Universitas Andalas.

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Abstract

Lung cancer is a leading cause of cancer-related mortality with a high incidence in Indonesia, particularly in West Sumatra, where NSCLC is the most common type. Risk factors include age, sex, genetics, smoking, and exposure to carcinogenic chemicals. This study aims to explore the anticancer potential of squid ink (Loligo sp.) against NSCLC using in silico methods for the development of more effective and targeted therapies. This experimental research was conducted from February to August 2024 at the Biomedical Laboratory, Bioinformatics Laboratory, and West Sumatra Health Laboratory. Compounds were extracted through lyophilization, followed by maceration with absolute ethanol, and analyzed using secondary metabolite identification and GC-MS. Bioactivity, bioavailability, and toxicity were evaluated using PASS online, Lipinski's Rule, and ProTox-II. Target proteins and test compounds were identified via RSCB PDB and PubChem, while molecular docking was performed using MOE software. The results identified 24 compounds, of which 6 met Lipinski's criteria, 3 were non-toxic, and 9 exhibited antineoplastic bioactivity against NSCLC. Molecular docking revealed that Rescinnamine had the strongest binding affinity with EGFR and KIF5B-RET proteins, forming interactions similar to Gefitinib and Vandetanib. Glycerol 1-palmitate showed strong affinity with KRAS and MET, mirroring interactions with Adagrasib and Tepotinib. Octadecanoic acid, 2-(2-hydroxyethoxy) ethyl ester demonstrated strong affinity for EML4-ALK, akin to Crizotinib. In conclusion, these three compounds from Loligo sp. squid ink show significant potential as competitive inhibitors of NSCLC due to their non-toxic, drug-like properties and ability to bind to the same amino acids as known NSCLC proto-oncogenes in silico.

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