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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30 / 1000+ results research A review on computer‐aided chemogenomics and drug repositioning for rationalCOVID ‐19 drug discovery
Computer-aided methods can speed up COVID-19 drug discovery and help find new uses for existing drugs.
research Pharmacophore and Atom Based 3D QSAR Studies on the Novel 5-Alpha-Reductase Inhibitors
The developed model can predict effective 5-alpha-reductase enzyme inhibitors.
research In-silico studies in herbal drugs: A review
Computational methods can speed up and improve the development and safety of herbal drugs.
research VIBRATIONAL SPECTROSCOPIC INVESTIGATION AND MOLECULAR STRUCTURE OF A 5α-REDUCTASE INHIBITOR: FINASTERIDE
The PW91 method is best for calculating the basic physical and chemical properties of Finasteride, a drug used for prostate issues and hair loss.
research Recent advances in drug repositioning and rediscovery for different therapeutic activities utilizing updated technological approaches
Using existing drugs for new treatments is cost-effective and safer.
research Drug Repositioning: New Opportunities for Older Drugs
Finding new uses for existing drugs is promising and can lead to safer, more effective medicines.
research Homology Modeling of 5-alpha-Reductase 2 Using Available Experimental Data
Accurate protein modeling can help develop new treatments for prostate cancer and other diseases.
research Computer-Aided Designing Peptide Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase Combined Molecular Docking and Molecular Dynamics Simulation
Two peptides, RMYYY and VMYMI, may be effective anti-inflammatory drugs.
research Drug Repositioning: New Approaches and Future Prospects for Life-Debilitating Diseases and the COVID-19 Pandemic Outbreak
Drug repositioning offers a cost-effective, lower-risk way to treat diseases and pandemics like COVID-19.
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 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 Repositioning Old Drugs for New Battles: The Expanding Role of Drug Repurposing in Cancer, Inflammation, and Metabolic Disease.
Drug repurposing can create safer, cheaper treatments by finding new uses for existing drugs.
research Development of a Two-Dimensional Model for Predicting Transdermal Permeation with the Follicular Pathway: Demonstration with a Caffeine Study
Researchers developed a model that shows hair follicles increase skin absorption of caffeine by 20%.
research In silico prediction of prostaglandin D2 synthase inhibitors from herbal constituents for the treatment of hair loss
Herbal compounds like ricinoleic acid, quercetin-3-O-rutinoside, and hinokiflavone may be safe and effective for treating hair loss.
research Novel Lead Generation through Hypothetical Pharmacophore Three-Dimensional Database Searching: Discovery of Isoflavonoids as Nonsteroidal Inhibitors of Rat 5α-Reductase
Researchers found new potential but less potent rat enzyme inhibitors using a 3D model.
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 Use of natural molecules as anti-angiogenic inhibitors for vascular endothelial growth factor receptor
Curcumin, EGCG, barringtozenol, and finasteride are effective VEGFR inhibitors.
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 Screening of synthetic and natural product databases: Identification of novel androgens and antiandrogens
Researchers found new potential treatments for conditions related to the androgen receptor, like male hormonal contraception, by testing thousands of compounds.
research Immunological aspects and gender bias during respiratory viral infections including novel Coronavirus disease‐19 (COVID‐19): A scoping review
Men are more likely to have severe respiratory viral infections like COVID-19 due to hormonal and genetic differences, while women generally have stronger immune responses.
research In silico analysis of ethyl acetate Bruguiera gymnorhiza leaf extracts as an anti-inflammatory agent
Bruguiera gymnorhiza leaf extracts show potential for developing anti-inflammatory drugs.
research Theoretical investigation of the conformational space of baicalin
The study found that baicalin has different stable shapes in gas and water, with two shapes better for interacting with positive charges in water.
research Automated Machine Learning Analysis of Patients With Chronic Skin Disease Using a Medical Smartphone App: Retrospective Study
Machine learning can predict symptoms and quality of life in chronic skin disease patients using smartphone app data, and shows that app use varies with patient characteristics.
research Mechanistic Underlying Anti-diabetic Potential of Eclipta alba Flavonoids against Aldose Reductase Inhibitory Action
Eclipta alba flavonoids may help treat diabetes by effectively inhibiting Aldose reductase.
research DEVELOPING NEW DUAL-ACTION ANTIVIRAL/ANTI-INFLAMMATORY SMALL MOLECULES FOR COVID-19 TREATMENT USING IN SILICO AND IN-VITRO APPROACHES
Hit15 shows promise as a COVID-19 treatment by reducing virus infection and inflammation.
research IMMUNOLOGICAL AND SOME BIOLOGICAL BIOMARKERS INVESTIGATION IN PATIENTS WITH SYSTEMIC LUPUS ERYTHEMATOSUS
No single biomarker is reliable enough for diagnosing and assessing SLE.
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.
research The role of 3Rs in the age of One Health: where we are and where we’re going
Innovative methods are reducing animal testing and improving biomedical research.
research Impact of artificial intelligence on healthcare
AI is revolutionizing healthcare by improving diagnosis, treatment, and monitoring, but still needs close supervision.