Publikasi Scopus 2024 per tanggal 31 Juli 2024 (607 artikel)

Sihombing I.N.N.; Arsianti A.
Sihombing, Irene Natalia Nesta (59169674500); Arsianti, Ade (36124567000)
59169674500; 36124567000
Network pharmacology prediction and molecular docking analysis on the mechanism of eugenol as a candidate against estrogen receptor-positive breast cancer
2024
Journal of Pharmacy and Pharmacognosy Research
12
5
837
851
14
0
Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia; Department of Medicinal Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia
Sihombing I.N.N., Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia; Arsianti A., Department of Medicinal Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia
Context: Breast cancer therapy currently presents several uncomfortable side effects in patients, including effects on non-malignant tissues, recurrence, and resistance, which restrict their utilization. Consequently, researchers have directed their attention toward studying plant-derived anticancer compounds that exhibit high efficacy and safety profiles. Eugenol, a major component found in clove plants, demonstrates promising potential as a therapeutic agent for both estrogen receptor-positive and estrogen receptor-negative breast cancer. Aims: To predict the target of eugenol in estrogen receptor positive breast cancer using network pharmacology and molecular docking analyses. Methods: Network pharmacology analysis was performed using the Chemical Toxigenomic Database, STITCH, GeneCards, Cytoscape, Enrichr, and Stringdb. Subsequently, molecular docking was performed using protein targets obtained from the RCSB-PDB and analyzed using AutoDock software. Results: Network pharmacology study and molecular docking revealed the anticancer effect of eugenol against breast cancer estrogen receptor positive, especially in cancer and apoptotic pathways, by acting on caspase-3 (CASP3), epidermal growth factor receptor (EGFR), and poly [ADP-ribose] polymerase 1 (PARP1) signaling pathways. The docking results between the protein targets and eugenol showed that eugenol has the strongest binding with CASP3 (ligand binding energy: -5.78 kcal/mol), followed by eugenol binding with EGFR (ligand binding energy: -5.58 kcal/mol), and eugenol binding with PARP1 (ligand binding energy: -5.58 kcal/mol). Conclusions: Eugenol is a potential candidate for breast cancer therapy, especially for apoptosis mediated by CASP3 in breast cancer luminal A. © 2024 Journal of Pharmacy & Pharmacognosy Research.
breast cancer; eugenol; KEGG enrichment; molecular docking; network pharmacology
caspase 3; epidermal growth factor receptor; estrogen receptor; eugenol; nicotinamide adenine dinucleotide adenosine diphosphate ribosyltransferase 1; antineoplastic activity; apoptosis; Article; cancer inhibition; estrogen receptor positive breast cancer; human; ligand binding; molecular docking; Protein Data Bank; signal transduction; systems pharmacology
Universitas Indonesia, UI
This study was supported by Hibah Publikasi Terindeks International (PUTI) Pascasarjana with appointment number NKB-125/UN2.RST/HKP.05.00/2022 of Universitas Indonesia, Indonesia. The authors would like to thank Universitas Indonesia for supporting our study.
Academic Association of Pharmaceutical Sciences from Antofagasta (ASOCIFA)
7194250
Article
Q2
312
14790