During the past decade, virtual screening (VS) has evolved from traditional similarity searching, which utilizes single reference compounds, into an advanced application domain for data mining and machine-learning approaches, which require large and ...
UNLABELLED: T-cell leukemias and lymphomas (TCL) form a heterogeneous group of rare and often aggressive malignancies. Because of the rarity and heterogeneity of TCL subtypes, clinical trials are challenging to conduct, making pharmacogenomic studies...
The development of novel drugs increasingly relies on advanced omics technologies, including genomics, transcriptomics, proteomics, and metabolomics. These approaches provide insights into genetic mutations, biomarkers, and disease pathways. However,...
In the next 25 years, we will see unprecedented technological progress due to the artificial intelligence (AI) revolution. AI-driven advances will be made in five strongly interconnected domains: reenergised drug discovery, continuous real-time monit...
BACKGROUND AND PURPOSE: Neurosteroids (NS) modulate neuronal function and are promising therapeutic agents for neuropsychiatric disorders. NS analogues are approved for treating postpartum depression and are of interest in other disorders. Gamma-amin...
Ligand-based drug discovery methods typically utilize pharmacophore similarities among molecules to screen for potential active compounds. Among these, scaffold hopping is a widely used ligand-based lead identification strategy that facilitates clini...
Protein-protein interactions (PPIs) are ubiquitous mediators of cellular functions, and their dysregulation is central to numerous pathological conditions. Traditional drug discovery strategies targeting PPIs directly have faced considerable obstacle...
Covering: up to December 2024Microbial metabolic pathways, including those of endophytic fungi, offer significant potential for synthesizing secondary metabolites, regardless of their ecological niche. These pathways can be modulated at the molecular...
European journal of medicinal chemistry
Oct 5, 2025
Generative Artificial Intelligence (Generative AI) is transforming drug discovery by enabling advanced analysis of complex biological and chemical data. This review explores key Generative AI models, including Generative Adversarial Networks (GANs), ...
Schistosomiasis, caused by Schistosoma mansoni, remains a significant public health burden, particularly in endemic regions with limited access to effective treatment. The emergence of resistance to praziquantel necessitates the urgent discovery of n...
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