research The Role of Labrasol® in the Enhancement of the Cutaneous Bioavailability of Minoxidil in Phospholipid Vesicles
Labrasol® in phospholipid vesicles improves minoxidil delivery to the skin, potentially aiding hair growth treatments.
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research Molecular Docking Studies and ADME Prediction of Novel Isatin Analogs with Potent Anti-EGFR Activity
Some new isatin compounds could be strong cancer-fighting drugs because they fit well in cancer-related proteins and have good drug-like properties.
research QSAR Analysis of a Series of Hydantoin‐based Androgen Receptor Modulators and Corresponding Binding Affinities
Researchers developed reliable models to predict how well certain compounds bind to androgen receptors, emphasizing the importance of atomic electronegativity.
research Virtual Screening of Potential Inhibitors for SARS-CoV-2 Main Protease
The document concluded that certain compounds might strongly bind to and potentially inhibit a key SARS-CoV-2 protein, but further testing is needed.
research Effective holistic characterization of small molecule effects using heterogeneous biological networks
Integrating biological networks improves drug repurposing and ADR prediction.
research Ligand Based 3D-QSAR Study on a Series of Steroidal Human 5α-Reductase Inhibitors
research A computer‐aided drug repurposing: the antibacterial agents targeting GroEL
Daprodustat, combined with PAβN, could be a new antibacterial treatment.
research Discovery of novel 5α-reductase type II inhibitors by pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulations
A new compound may treat benign prostatic hyperplasia better than finasteride.
research Data-driven strategies for drug repurposing: insights, recommendations, and case studies
Drug repurposing can speed up and reduce costs in drug discovery, especially for cancer treatment.
research DNN-DTIs: improved drug-target interactions prediction using XGBoost feature selection and deep neural network
The DNN-DTIs method accurately predicts drug-target interactions and is useful for drug repositioning.
research Pharmacophore Modeling and Three Dimensional Database Searching for Drug Design Using Catalyst: Recent Advances
The document concludes that Catalyst software is effective for drug design, identifying potent compounds for various medical conditions.
research A review for cell-based screening methods in drug discovery
Cell-based screening methods are useful and cost-effective for drug discovery but have pros and cons.
research High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase
Mutations in the enzyme don't significantly change how it binds to its specific substances.
research De novo designed bifunctional proteins for targeted protein degradation
Newly designed proteins can effectively degrade specific proteins in cells, offering a potential new therapy method.
research Data-driven strategies for drug repurposing: insights, recommendations, and case studies
Data-driven methods can effectively identify existing drugs for new uses, especially in cancer, infections, and respiratory diseases.
research Integrated edge information and pathway topology for drug-disease associations
iEdgePathDDA effectively finds new drug-disease links, outperforming other methods.
research Experimental, molecular docking investigations and bioavailability study on the inclusion complexes of finasteride and cyclodextrins
Combining finasteride with dimethyl-β-cyclodextrin improves its absorption and bioavailability.
research Experimental, molecular docking investigations and bioavailability study on the inclusion complexes of finasteride and cyclodextrins
Cyclodextrins improve finasteride's solubility and bioavailability for hair loss treatment.
research In Vitroandin VivoStructure-Activity Relationships of Novel Androgen Receptor Ligands with Multiple Substituents in the B-Ring
Certain changes to the B-ring of androgen receptor ligands can increase their effectiveness for potential treatments of muscle and bone conditions.
research Development of a 3D In Vitro Model of Dupuytren’s Disease as a Platform for Drug Screening
A 3D model of Dupuytren’s disease was developed for better drug testing.
research Crystallization and preliminary X-ray analysis of the human androgen receptor ligand-binding domain with a coactivator-like peptide and selective androgen receptor modulators
Scientists successfully created and analyzed the structure of a part of the human androgen receptor with specific modulators and a peptide to understand how it binds differently in various tissues.
research Charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping
Researchers identified promising inhibitors for the BRD4 protein, including finasteride and amentoflavone.
research Molecular insights into the formation of drug-polymer inclusion complex
The research shows how certain drugs can form stable structures with polymers, which is important for making new pharmaceuticals.
research Structural & functional studies of L-PGDS and SMPDL3A enzymes in lipid signaling family
L-PGDS has specific binding sites for its functions and could help in drug delivery system design.
research Generation of comparative pharmacophoric model for steroidal 5α-reductase I and II inhibitors: A 3D-QSAR study on 6-azasteroids
The study created a model to help design new inhibitors for steroidal 5α-reductase enzymes.
research Advances in structure-based drug design targeting membrane protein markers in prostate cancer
Computational methods help design drugs targeting prostate cancer proteins.
research Understanding the formation mechanism of drug-polymer inclusion complex by structure elucidation and theoretical calculation
The research found how certain drugs and polymers form stable complexes, which could help develop new pharmaceutical forms.
research Molecular modeling of hair keratin/peptide complex: Using MM‐PBSA calculations to describe experimental binding results
Electrostatic interactions mainly stabilize the binding of peptides to hair keratin.
research DiZyme: The Ultimate Resource for Nanozyme Multiple Catalytic Activity Prediction
DiZyme accurately predicts nanozyme activities to aid in discovering new applications.
research Understanding the formation mechanism of drug-polymer inclusion complex by structure elucidation and theoretical calculation
The research shows how certain drug molecules form stable structures with polymers, which could help create new drug forms.