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Journal : Biology, Medicine,

Prediction of Artocarpus altilis Potential as an Anti Breast Cancer by Inhibiting EGFR: a Molecular Docking Study Farid, Muhammad; Rastrani, Ardestya; Rahma, Adinda Aulia; Ramadhania, Widya Aryana
Biology, Medicine, & Natural Product Chemistry Vol 14, No 1 (2025)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2025.141.199-204

Abstract

Reseptor Faktor Pertumbuhan Epidermal (EGFR) merupakan target penting dalam terapi kanker payudara, mengingat perannya dalam proliferasi, motilitas, dan invasi sel tumor melalui jalur pensinyalan penting seperti Ras-MAPK dan PI3K/Akt. Penelitian ini mengeksplorasi potensi senyawa aktif Artocarpus altilis (AA), yang kaya akan flavonoid, sebagai alternatif kemoterapi. Metode docking molekular digunakan untuk memprediksi interaksi antara senyawa AA dan protein EGFR (PDB ID: 2J6M). Validasi docking menunjukkan nilai RMSD sebesar 0,854 Å, yang menunjukkan akurasi tinggi. Asam ellagic menunjukkan afinitas pengikatan terbaik (-8,4 kkal/mol), diikuti oleh Quercetin (-7,3 kkal/mol), Katekin, dan Epikatekin (-7,2 kkal/mol). Analisis residu mengungkapkan bahwa MET793 memainkan peran kunci dalam stabilitas interaksi. Visualisasi interaksi dan prediksi ADMET menunjukkan bahwa sebagian besar senyawa memenuhi Aturan Lima Lipinski, tanpa risiko hepatotoksisitas atau mutagenesis. Senyawa potensial seperti Quercetin dan Epicatechin menunjukkan kinerja yang sebanding dengan doxorubicin, tetapi dengan potensi efek samping yang lebih rendah. Hasil ini memperkuat peran senyawa alami sebagai kandidat untuk terapi kanker yang ditargetkan pada EGFR, yang menyediakan dasar untuk pengembangan obat antikanker yang lebih aman dan lebih efektif.
Investigating Genetic Vulnerability to Environmental Exposures and Associated Lung Diseases: A Bioinformatics Study Farid, Muhammad; Rastrani, Ardestya; Yuska, Shaldhan Bayu
Biology, Medicine, & Natural Product Chemistry Vol 14, No 2 (2025)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2025.142.717-723

Abstract

Lung diseases induced by environmental exposures such as air pollution, cigarette smoke, and industrial particles remain a significant global health concern, contributing to high morbidity and mortality rates. Genetic variations are known to influence individual responses to environmental exposures, but the molecular mechanisms underlying these interactions are not well understood. This study aims to identify genetic variants, specifically Single Nucleotide Polymorphisms (SNPs), that may increase the risk of lung diseases using a bioinformatics approach. The analysis was conducted by integrating various public genetic databases, including PheWAS, GWAS Catalog, HaploReg v4.2, GTEx Portal, and Ensembl Genome Browser. SNPs were filtered based on p-value < 0.05 and odds ratio (OR) > 1. Missense mutations in selected SNPs were further analyzed for gene expression in lung tissue and distribution across populations. From an initial 151 SNPs, 86 met the statistical criteria, and six were identified as missense variants. Two genes, TNIP1 and PSMB8, showed significantly high expression in lung tissue. SNP rs2071543 in PSMB8 exhibited a strong correlation with increased gene expression and demonstrated notable allele frequency variation across populations. These findings suggest that genetic variations, particularly in PSMB8, may contribute to individual susceptibility to lung diseases induced by environmental exposures. This study highlights the importance of multidatabase analysis in identifying genetic biomarkers and provides a foundation for the development of precision therapies for multifactorial lung diseases.