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Exploring the Chemopreventive Potential of Soybean Phytochemicals Targeting BRCA1 Protein: A Molecular Docking Study
Breast cancer remains a significant cause of cancer-related mortality among women globally, highlighting the importance for preventive strategies targeting early molecular events. BRCA1 plays a critical role in... -
Molecular Docking of Active Compounds from The Ethanol Extract of Phaleria macrocarpa Fruit with Iron Transporters DMT1 and ZIP14
Iron-overload can lead to organ damage by promoting free radical production.This study explores the potential inhibitory effects of compounds found in Phaleria macrocarpa fruit on non-transferrin-bound iron uptake... -
Identification of Active Compounds of Leaf Extract and Seed Oil of Moringa oleifera in TrkB Receptor as Neuroprotective by Molecular Docking
The functional ability of the brain will decline progressively during aging which usually involves changes in plasticity. BDNF is one of the neurotrophins that regulates plasticity via TrkB receptors. So the... -
Molecular Docking of ftsZ Protein of Staphylococcus aureus to Indonesian Herbal Compound
Microbial resistance to antibiotics is a growing global problem, and new antibacterial agents are needed to overcome this. One of the bacteria with a high level of resistance is Staphylococcus aureus . Herbal... -
Computational Calculation and Molecular Docking of Thymol and O-Benzoyl Thymol as Inhibitor TYK2 Enzyme
Thymol is the active ingredient in plants from Thymus vulgaris (thymus). The calculations and molecular docking have been done computationally for the thymol and o-benzoyl thymol. This computational calculation aims... -
Integrative Transcriptomic and Docking Analysis of Coffee Bioactives Targeting CCNA2, AKT1, and CDK2 in TNBC
Triple-negative breast cancer (TNBC) is an aggressive breast cancer subtype characterized by high proliferation rates, poor prognosis, and limited therapeutic options. Coffee-derived bioactive compounds have... -
In Silico Evaluation of Quinoline Derivatives as PfLDH Inhibitors through Molecular Docking, Lipinski’s Rule, and ADMET Profiling
This study aimed to evaluate quinoline-spiro derivatives as potential inhibitors of P. falciparum lactate dehydrogenase (PfLDH), a key enzyme involved in parasite energy metabolism, using an in silico approach.... -
Potential Hydrophobic Pocket of Squalene Synthase: An In Silico Analysis
Cardiovascular disease cases increase due to consumption cholesterol dietary habit. It is well-known that squalence synthase (SQS) is the first committed enzyme for cholesterol synthesis. Therefore, SQS become target... -
Identification of Potential Biomarkers for Hypertensive Nephropathy by Bioinformatics Analysis
Hypertensive nephropathy (HN) is a common complication of chronic hypertension that leads to kidney damage. This study aimed to identify potential biomarkers and key pathways associated with HN using bioinformatics...