Fragment-Based Drug Discovery: Innovations, Challenges, and Translational Opportunities in Experimental Pharmacology

Fragment-based drug discovery (FBDD) has rapidly evolved into a powerful approach for identifying and optimizing novel therapeutic agents. By using small, low-molecular-weight fragments, FBDD enables efficient exploration of chemical space, reveals new binding opportunities, and provides innovative solutions for targets that have traditionally been difficult to drug. Recent advances in pharmacology, biophysical screening, and structural biology have further expanded the role of FBDD across multiple therapeutic areas.This Research Topic aims to showcase the latest progress, challenges, and applications of FBDD in experimental pharmacology. We welcome original research, reviews, perspectives, and methods articles that reflect the multidisciplinary nature of the field and highlight its growing impact on drug discovery.Topics of interest include, but are not limited to:• Novel Screening Technologies: NMR, X-ray crystallography, mass spectrometry, SPR, computational tools, and high-throughput approaches for fragment identification• Medicinal Chemistry – From Fragments to Leads: Linking, merging, and growing strategies; SAR development; optimization for pharmacological performance• Targeting the “Undruggable”: Case studies and approaches for challenging biological targets• Library Design and Diversity: Development of fragment libraries emphasizing diversity, solubility, and drug-likeness• Case Studies and Translational Insights: FBDD campaigns advancing preclinical or clinical candidates• Computational and AI Integration: Machine learning, virtual screening, and AI-based optimization and prediction• Pharmacological Characterization: Profiling fragment hits, mechanisms of action, pharmacokinetics, and chemical biology applications• Overcoming Challenges: Addressing affinity, specificity, progression criteria, and lessons from stalled programsBy bringing together contributions across chemistry, biology, and pharmacology, this Research Topic will provide fresh perspectives and stimulate dialogue aimed at advancing FBDD discoveries from the laboratory to the clinic.Please note that submissions lacking experimental validation of in silico findings will not be considered. Topic editors: Budimir S. Ilić, Amalia Stefaniu, Goragot Wisedchaisri Source: https://www.frontiersin.org/research-topics/82225/fragment-based-drug-discovery-innovations-challenges-and-translational-opportunities-in-experimental-pharmacology