January 2018 in “Computational Toxicology” This review introduces pharmacophore technology and discusses its applications in toxicity prediction and limits, but reports no new clinical results.
11 citations
,
August 2009 in “Expert Opinion on Drug Discovery” This review discusses current challenges in selective androgen receptor modulator discovery and preclinical evaluation and reports no new results, emphasizing the need for basic research to improve safety and selectivity.
20 citations
,
September 2005 in “Endocrinology” This study identified novel selective androgen receptor modulators with enhanced in vivo pharmacological activity through structure-activity relationship analysis in castrated rats.
February 2026 in “Pharmaceuticals” This study introduced the KRDQN predictive framework, which outperformed existing methods in predicting adverse drug reactions and provided interpretable insights into drug mechanisms, aiding pharmacovigilance and clinical decision-making.
180 citations
,
February 2023 in “Journal of Chemical Information and Modeling” In this paper, Chemistry42—a software integrating AI with computational and medicinal chemistry—demonstrated efficiency in designing novel molecular structures targeting DDR1 and CDK20, with properties validated in both in vitro and in vivo studies.
18 citations
,
June 1999 in “Statistical Methods in Medical Research” This paper reviews the role of pharmacokinetic/pharmacodynamic modeling in drug development, emphasizing its application for drug dosing guidance, safety resolution, and therapeutic monitoring improvement, without presenting new clinical results.
This study introduced a new computational method for simulating vibrational frequencies, finding that the multi-molecular fragment model showed the best agreement with experimental data for Finasteride, Lamivudine, and Repaglinide, outperforming traditional models in accuracy.
129 citations
,
January 2004 in “Journal of medicinal chemistry” This study synthesized nonsteroidal ligands as second-generation androgen receptor agonists and identified three compounds with significant anabolic activity and moderate to minimal androgenic activity in vivo.
January 2008 in “OhioLink ETD Center (Ohio Library and Information Network)” This study found evidence of structurally and functionally distinct AR-SARM protein complexes, which may contribute to understanding how SARMs achieve tissue-selective effects.
28 citations
,
November 2004 in “Endocrinology” This study by Gao et al. reports that two nonsteroidal selective androgen receptor modulators, S1 and S4, demonstrated tissue-selective actions in rats, suppressing prostate growth while maintaining muscle growth without altering hormone levels.
December 2010 in “Cancer Prevention Research” This study provides evidence supporting the feasibility of presurgical, window-of-opportunity models to evaluate the preventive potential of candidate agents in cancer, using cases from breast, prostate, and colorectal settings.
32 citations
,
May 2022 in “Frontiers in Pharmacology” This study proposes an AI-based method, DRGCC, using GraphSAGE and clustering constraints to predict associations between drugs and diseases, demonstrating reliable predictive performance that may aid drug repositioning efforts, including exploring drugs for COVID-19 treatment.
1 citations
,
January 2013 in “MedChemComm” This study characterized the SARM PF-05314882, finding it demonstrates anabolic activity in rats with minimal effects on the prostate, seminal vesicles, and luteinizing hormone levels.
April 2026 in “Zenodo (CERN European Organization for Nuclear Research)” This research presents the Dodatek A model, elaborating on androgen function through new mathematical indices and methodological improvements, shifting focus from serum hormone concentrations to system interactions to better describe androgen activity comprehensively.
2 citations
,
September 2025 in “Frontiers in Endocrinology” This review critically evaluates the evidence for SARMs' tissue selectivity and suggests their clinical benefits over traditional androgens are not yet well-supported by robust evidence, underscoring the need for further head-to-head trials.
11 citations
,
April 2023 in “Frontiers in Pharmacology” This study reported that the Computational Analysis of Novel Drug Opportunities platform effectively uses integrated biological data, including side effects and pathways, to generate potential drug candidates for colon cancer and migraine disorders.
April 2026 in “Zenodo (CERN European Organization for Nuclear Research)” In this study, Dodatek A operationalizes the Functional Androgen Axis framework by defining three system-level indices and an efficiency metric to describe androgen function, incorporating key methodological improvements and acknowledging significant limitations for future empirical validation.
23 citations
,
May 2019 in “Expert Opinion on Therapeutic Patents” This review discusses AR-modulating agents developed between 2012 and 2018, highlighting challenges with ligand-binding domain antagonists and proposing nonconventional approaches targeting other domains as promising strategies.
March 2008 in “The Knowledge Bank (The Ohio State University)” This study found that AR-007 degrades faster and has a stronger association with hsp70 than AR-014, suggesting it is less stable when bound to the androgen receptor.
1 citations
,
August 2025 In this study, researchers evaluated drug-target interaction data from three major resources and developed a framework for drug repurposing, revealing associations between drug properties and therapeutic groups to aid in compound prioritization and predicting repositioning opportunities for existing drugs, particularly in cancer treatment.
June 2026 in “bioRxiv (Cold Spring Harbor Laboratory)” This study found that inhibiting the interaction between HOTAIR and EZH2 can block pro-fibrotic gene expression in fibroblasts and interfere with tissue remodeling in systemic sclerosis patient skin.
5 citations
,
February 2024 in “Clinical Pharmacokinetics” This study found that modeling and simulation effectively informed decision-making and dose selection for ritlecitinib in treating alopecia areata, supporting an accelerated drug development strategy.
1 citations
,
August 2012 in “Research in Pharmaceutical Sciences”
June 2026 in “Zenodo (CERN European Organization for Nuclear Research)” This study used molecular docking to analyze the binding affinities of quercetin and kaempferol, plant-derived flavonoids, showing they have promising interaction profiles with JAK3 kinase and moderate binding with 5-alpha reductase type 2, suggesting potential as topical treatments for androgenetic alopecia.
1 citations
,
March 2022 in “bioRxiv (Cold Spring Harbor Laboratory)” This study examined wool traits in Angora rabbits using low-coverage whole genome sequencing, identifying six QTLs and a gene, FGF10, linked to fiber growth and diameter, suggesting a cost-effective approach for complex trait analysis in genomic breeding.
2 citations
,
November 2025 in “Briefings in Bioinformatics” In this study, the researchers performed a comparative analysis of drug-target interaction data from multiple databases to refine drug repurposing strategies, revealing potential associations between drug characteristics and therapeutic groups, and predicting repositioning opportunities for FDA-approved drugs across major cancer types.
17 citations
,
May 1998 in “Steroids” This study constructed a model to predict finasteride's inhibitory activity on 5α-reductase type 2 and calculated that a 1 μM plasma concentration, after 50 mg administration, matches prostate inhibition levels.
56 citations
,
July 2014 in “PloS one” This study found that selective androgen receptor modulators (SARMs) significantly inhibited tumor growth and metastasis-promoting factors in AR-positive triple-negative breast cancer models.
June 2026 in “Zenodo (CERN European Organization for Nuclear Research)” In this study, quercetin and kaempferol, two plant-derived flavonoids, showed stronger binding affinities to JAK3 kinase and moderate binding to 5-alpha reductase type 2, suggesting their potential as natural treatments for androgenetic alopecia, with quercetin demonstrating suitable properties for topical application.
1 citations
,
September 2004 in “Physica D: Nonlinear Phenomena” This study developed a new method for analyzing multivariate time-series data that successfully predicts website competition dynamics and outperforms conventional methods in identifying and predicting competitive structures.