Phosphodiesterase 4 (PDE4) has been validated as a promising therapeutic target for idiopathic pulmonary fibrosis (IPF), a devastating interstitial lung disease lacking really effective therapeutic drugs, particularly exacerbated in the post-COVID-19...
World journal of microbiology & biotechnology
Nov 18, 2025
There is a growing concern about fungal infections and antifungal resistance among fungal species, underscoring the need for finding alternative treatments. Antifungal peptides (AFPs) are interesting and promising candidates for developing novel anti...
Fungi are closely associated with various diseases, among which Candida albicans (C. albicans) is recognized as an important pathogen in inflammatory bowel disease (IBD). Fungal pathogenicity is primarily mediated by virulence factors (VFs); therefor...
Journal of chemical information and modeling
Nov 14, 2025
Topological data analysis (TDA) has emerged as a powerful framework for extracting robust, multiscale, and interpretable features from complex molecular data for artificial intelligence (AI) modeling and topological deep learning (TDL). This review p...
Journal of chemical information and modeling
Nov 12, 2025
Targeted protein degradation (TPD) is an innovative drug discovery approach that leverages small molecules to induce proximity between a protein of interest (POI) and an E3 ubiquitin ligase (E3L) for selective degradation. Among TPD modalities, prote...
Journal of computer-aided molecular design
Nov 12, 2025
Deep generative models may detect novel compounds with favourable features, exhibiting chemical design potential. Traditional single-stage variational autoencoders (VAEs) lack validity, uniqueness, and biologically meaningful distribution alignment. ...
Natural products (NPs) are a treasure trove of drug discovery, yet their structural complexity and extreme data scarcity critically hinder AI-driven exploration. To address this challenge, we present MSformer, a transformer-based architecture that br...
Journal of chemical information and modeling
Nov 6, 2025
Increasing concerns regarding prolonged antibiotic usage have spurred the search for alternative treatments. Antimicrobial peptides (AMPs), first discovered in the 1980s, have exhibited significant potential against a broad range of bacteria. Short-s...
Journal of chemical information and modeling
Nov 4, 2025
Understanding the intricate relationships between genes and drugs is crucial for advancing drug discovery. However, biological experiments aimed at identifying gene-drug associations are typically time-consuming and inefficient, leading to significan...
Journal of computer-aided molecular design
Nov 4, 2025
Mycobacterium tuberculosis (Mtb) continues to be one of the major contributors to the global burden of infectious diseases. Many drugs used in the current treatment regime have fallen prey to the puzzling phenomenon of antimicrobial resistance. Despi...
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