research In Search of Predictive Models for Inhibitors of 5-Alpha Reductase 2 Based on the Integration of Bioactivity and Molecular Descriptors Data
The models can help find better inhibitors for conditions like baldness and prostate disorders.
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research Network-Based Drug Repositioning: Approaches, Resources, and Research Directions
The document concludes that computational methods using networks and various data can improve the process of finding new uses for existing drugs.
research HPLC Characterization, Molecular Docking, QSAR and Molecular Dynamics Simulation of Alstonia Boonei Phytochemical Analogs as Potent 5-Alpha Reductase Inhibitors
Alstonia boonei phytochemicals show promise as alternative treatments for BPH with fewer side effects than current drugs.
research Computational Screening of Repurposed Drugs and Natural Products Against SARS-CoV-2 Main Protease as Potential COVID-19 Therapies
Some existing drugs and natural products might work against COVID-19 by targeting the virus's main protease.
research Drug Repurposing Against KRAS Mutant G12C: A Machine Learning, Molecular Docking, and Molecular Dynamics Study
Afatinib, neratinib, and zanubrutinib could be effective against KRASG12C-mutant tumors.
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