research Drug Discovery Insights from a Computational QSAR Study on Alpha-Reductase Inhibitors and Layered Double Hydroxides Electrocatalysts
Computational techniques can improve drug development for treating certain conditions.
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60-90 / 1000+ results research Ligand Based 3D-QSAR Study on a Series of Steroidal Human 5α-Reductase Inhibitors
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 Valency based novel quantitative structure property relationship (QSPR) approach for predicting physical properties of polycyclic chemical compounds
The neighborhood face index (NFI) accurately predicts properties of complex molecules.
research QuantAnts machines discover biomarkers for RAS signaling activation and design sgRNAs for CRISPR to target complex CD9, CD34, and CD74.
The QuantAnts machines can find cancer markers and create CRISPR targets for them.
research Improving selective androgen receptor modulator discovery and preclinical evaluation
We need better ways to test and understand SARMs to make safer and more effective treatments.
research A regulatory perspective on pharmacokinetic/pharmacodynamic modelling
The document concludes that PK/PD modeling is important for determining the safe and effective dosages of drugs.
research Chemistry42: An AI-Driven Platform for Molecular Design and Optimization
Chemistry42 effectively creates and optimizes new molecules for drug discovery.
research A comprehensive investigation into the molecular mechanism responsible for selective androgen receptor (SARM) tissue-selectivity
SARMs work differently in tissues due to unique interactions and structures.
research Predictive Skin Permeation of Ethinylestradiol,α-Asarone,Finasteride and Risperidone
The Potts-Guy model best predicts skin permeability for the tested drugs.
research Harmonic Vibrational Frequency Simulation of Pharmaceutical Molecules via a Novel Multi-Molecular Fragment Interception Method
The new method provides more accurate vibrational frequencies for drug molecules than traditional models.
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 KRDQN: An Interpretable Prediction Framework for Adverse Drug Reactions via Knowledge–Graph Reinforced Deep Q-Learning
KRDQN effectively predicts adverse drug reactions with high accuracy and clear explanations.
research Drug Repositioning with GraphSAGE and Clustering Constraints Based on Drug and Disease Networks
The method effectively predicts new drug uses, including potential COVID-19 treatments.
research Pharmacophore Models for Toxicology Prediction
Pharmacophore models can predict liver toxicity and central nervous system toxicity, but they have limitations and specific requirements.
research Effective holistic characterization of small molecule effects using heterogeneous biological networks
Integrating biological networks improves drug repurposing and ADR prediction.
research Optimization of finasteride nano-emulsion preparation by using chemometrics approaches (and/or Box-Behnken design and regresion model)
research Dodatek A: Model matematyczny AL/RC/ASE. Functional Androgen Axis (FOA) - wersja operacyjna v1.2
The model improves understanding of androgen interactions by focusing on signal intensity and system capacity.
research Design, Synthesis, and Biological Characterization of Metabolically Stable Selective Androgen Receptor Modulators
Researchers developed new compounds that target the androgen receptor effectively with fewer side effects.
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 Cost-effectively dissecting the genetic architecture of complex wool traits in rabbits by low-coverage sequencing
Low-coverage sequencing is a cost-effective way to identify genes related to wool traits in rabbits.
research Dodatek A: Model matematyczny AL/RC/ASE. Functional Androgen Axis (FOA) - wersja operacyjna v1.2
The model improves understanding of androgen interactions by focusing on signal intensity and system capacity.
research Fully automated chip-based nanoelectrospray ionization-mass spectrometry as an effective tool for rapid and high-throughput screening of 5α-reductase inhibitors
research Structural Characterization and Ligand Specific Protein Interactions of Androgen Receptor
SARM-induced changes in the androgen receptor are specific to each ligand and affect stability and protein interactions.
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 Tuning Scaffold Properties of New 1,4-Substituted Pyrrolo[3,2-c]quinoline Derivatives Endowed with Anticancer Potential, New Biological and In Silico Insights
Compound 7p shows strong potential as an anticancer agent.
research Probing androgen receptor co-factor selectivity profiles: a chemical tool to determine cross-talk between androgen receptor and β-catenin in vivo
PF-05314882 selectively activates androgen receptors without much effect on prostate and may help in prostate cancer treatment and hair loss prevention.
research Cost-effectively dissecting the genetic architecture of complex wool traits in rabbits by low-coverage sequencing
Low-coverage sequencing is a cost-effective way to find genetic factors affecting rabbit wool traits.
research Drug repositioning using in silico compound profiling
Using computers to analyze drugs can find new uses for them, but actual experiments are needed to confirm these uses.
research Abstract ED05-04: Presurgical models to effectively screen preventive agents
Presurgical models can effectively and affordably screen cancer prevention agents.