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Analisis Target Protein Pada Penyakit Kanker Serviks dari Senyawa Ethyl Para Methoxy Cinnamate Secara In Silico Ayunda Tasya Hapsari; Muhamad Salman Fareza; Nur Amalia Choironi
Journal of Applied Science for Pharmaceuticals and Health Vol 1 No 2 (2024): Journal of Applied Science for Pharmaceuticals and Health (Desember)
Publisher : Centre of Applied Science for Pharmaceutical Science Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jasph.2024.1.2.14999

Abstract

Kasus kanker serviks merupakan kanker tertinggi ke-5 diantara kanker lainnya di dunia. Amplifikasi DNA adalah salah satu mekanisme terjadinya kanker ini. Karena itu, keparahan penyakit ini bisa berkembang. Gen yang berperan dalam perkembangan kanker serviks adalah CCNB1, CCNB2, CDK, dan MMP. Terdapat masalah pada beberapa obat yang menargetkan beberapa protein tersebut seperti erlotinib, alvocidib, marimastat, dan lain-lain. Oleh karena itu, penemuan obat baru untuk mengatasi kasus ini perlu dilakukan. Senyawa Ethyl Para Methoxy Cinnamate (EPMC) mempunyai aktivitas sitotoksik IC50 sebesar 35 μg/ml yang bersifat sangat sitotoksik terhadap sel HeLa. Penelitian ini bertujuan untuk mengetahui potensi target dan profil docking molekul senyawa EPMC yang berpotensi menghambat kanker serviks. Pencarian data menggunakan database Pubchem, SWISS Target Prediction, PubMed, STRING, dan PDB. Situs Webgestalt dilakukan untuk analisis Geneontologi, jalur KEGG, dan asosiasi obat. Hasil PTTGs digunakan untuk melihat interaksi antara protein menggunakan STRING dan gen hub 10 teratas dengan cystoscape. Simulasi docking dilakukan untuk menentukan profil mooring. Hasil: Target potensial EPMC adalah EGFR, CCND1, CDK4, CDK2, CCNA1, HGF, MMP9, CCNE1, CCNB1, CDH1. Hasil simulasi docking menunjukkan MMP9 memiliki energi ikatan yang lebih rendah dibandingkan kontrol positif, yaitu sekitar -6,9 kkal/mol. Oleh karena itu, MMP9 berpotensi menjadi target EPMC melalui jalur persinyalan PI3K-Akt. Kesimpulan: Senyawa EPMC dapat menghambat pertumbuhan sel kanker dengan menargetkan MMP9 melalui jalur pensinyalan PI3K-Akt.
Bioinformatics Study on Curcuma mangga Diterpenoids as Potential Anticancer Agents for Breast Cancer Putri Khaerani Cahyaningrum; Indra Yudhawan; Binar Pratama; Nur Amalia Choironi
JURNAL FARMASI DAN MAKANAN Vol 9 No 1 (2025): Journal of Pharmacy and Science
Publisher : LPPM Universitas Abdurrab

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36341/jops.v9i1.7363

Abstract

Breast cancer, with its aggresive subtypes and resistance, is a major cause of cancer-related mortality among women. Advancements of breast cancer drug discovery is great and survival rate is better than in the past, but still advanced breast cancer remain difficult to treat, emphasizing the need for searching of alternative therapeutic agents with proven efficacy and safety. Curcuma mangga contains diterpenoid compounds that have demonstrated cytotoxic potential against breast cancer cells. This study aimed to elucidate the molecular mechanisms and pharmacokinetic properties of diterpenoids from the n-hexane extract of C. mangga against ER-positive breast cancer using a network pharmacology approach. Four diterpenoids—(E)-Labda-8(17),12-diene-15,16-dial, (E)-15,16-Dinorlabda-8(17),11-dien-13-one, m-camphorene, and p-camphorene—were evaluated. Breast cancer-related genes were retrieved from the NCBI database, while compound targets were predicted using SwissTargetPrediction and SEA Search Server. Nineteen overlapping genes were identified as Potential Therapeutic Target Genes (PTTGs) and further analyzed through protein–protein interaction, Gene Ontology, and KEGG pathway enrichment analyses. Key targets included EGFR, AKT1, CYP19A1, and PGR, which are involved in cell proliferation, survival, and hormone-regulated signaling pathways. ADME and toxicity predictions indicated favorable oral bioavailability for labdane diterpenoids, although potential hepatotoxicity and mutagenicity were observed in certain compounds. Overall, (E)-Labda-8(17),12-diene-15,16-dial emerged as the most promising candidate, supporting its further investigation as a potential therapeutic agent for ER-positive breast cancer.