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All Journal Biology, Medicine, & Natural Product Chemistry
Muhammad Farid
Ahmad Dahlan University
Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology Public Health

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In Silico Analysis of Bioactive Compounds from Imperata cylindrica as Potential EGFR Inhibitors in Cervical Cancer Muhammad Farid; Hanin Fitri Aqilanisa; Jihan Aqila Najwa Ulayya; Gylda Shareefa Carent Nissiara; Murni Ramadhani; Ardestya Rastrani
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.127-136

Abstract

Cervical cancer remains a major cause of death in women globally. Conventional treatments often result in toxicity and resistance, prompting interest in natural alternatives. Imperata cylindrica has demonstrated potential anticancer activity, but its molecular interaction with EGFR in cervical cancer remains unexplored. Objective This study employed an in-silico approach to evaluate the potential of bioactive compounds from I. cylindrica as epidermal growth factor receptor (EGFR) inhibitors. Methods: An in-silico study was conducted using molecular docking using AutoDock v4.2.6 to assess the binding affinity of I. cylindrica bioactive compounds toward EGFR. Docking validation used redocking. ADMET predictions were performed using pkCSM and ProTox-II to evaluate pharmacokinetics, toxicity, and drug-likeness properties. Results: Jatrorrhizine, curcumin, and 5-hydroxyflavone showed strong binding to EGFR (?G: –8.00 to –7.67 kcal/mol) with key interactions at Asp855 and Lys745. These compounds also exhibited good oral absorption and low toxicity. Arundoin showed the highest affinity (–8.57 kcal/mol) but poor ADMET characteristics, reducing its therapeutic potential. Conclusion: Jatrorrhizine, curcumin, and 5-hydroxyflavone show potential as EGFR inhibitors, warranting further experimental validation and development.
Investigating Genetic Vulnerability to Environmental Exposures and Associated Lung Diseases: A Bioinformatics Study Muhammad Farid; Ardestya Rastrani; Shaldhan Bayu Yuska
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.
Predicting the Anti-Pulmonary Fibrosis Potential of Physalis angulata Compounds A Computational Study Muhammad Farid; Assa Aulia Kirana; Nandita Diah Oktaviana; Sofia Rasyda; Dwi Anggraini; Widya Aryana Ramadhania
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.2025.142.817-824

Abstract

Pulmonary fibrosis is a progressive lung disease characterized by tissue scarring and respiratory decline. Existing treatments have limited efficacy and significant side effects. Physalis angulata, a traditional medicinal plant, shows promise for antifibrotic therapy due to its bioactive compounds potentially targeting key fibrotic pathways. This study aims to predict the potential of Physalis angulata compounds to PI3K/AKT protein as candidates for antifibrotic therapy. Ten active compounds from P. angulata were docked against the PI3K/AKT protein (PDB ID: 2UZT) using AutoDock Vina. Docking was validated by redocking the native ligand. Binding affinities and molecular interactions were analyzed. ADMET properties were predicted via the pkCSM platform to assess pharmacokinetics and toxicity. Myricetrin exhibited the strongest binding affinity (-9.6 kcal/mol), surpassing the native ligand (-9.1 kcal/mol). Other flavonoids, including eriodictyol (-8.9 kcal/mol), naringin (-8.8 kcal/mol), and apigenin (-8.5 kcal/mol), also showed favorable affinities. Critical amino acids involved were Asp184 and Glu121. The redocking RMSD value of 0.893 Ã confirmed methodological accuracy. ADMET predictions revealed high intestinal absorption for tangeretin and apigenin, with no mutagenic or hepatotoxic risks, indicating good pharmacokinetic profiles. Physalis angulata flavonoids exhibit strong PI3K/AKT binding and favorable pharmacokinetics, supporting their potential as antifibrotic agents.
Co-Authors Ardestya Rastrani Assa Aulia Kirana Dwi Anggraini Gylda Shareefa Carent Nissiara Hanin Fitri Aqilanisa Jihan Aqila Najwa Ulayya Murni Ramadhani Nandita Diah Oktaviana Shaldhan Bayu Yuska Sofia Rasyda Widya Aryana Ramadhania