Drug Discovery

Artificial intelligence (AI) has emerged as one of the most transformative technologies in pharmaceutical research by accelerating drug discovery and medicinal chemistry through machine learning, deep learning, and advanced computational approaches. This review examines the available literature from human clinical studies, computational drug discovery research, systematic reviews, meta-analyses, and clinical investigations, highlighting the applications of AI in target identification, virtual screening, lead optimization, drug repurposing, ADMET prediction, and precision medicine. The review also explores interdisciplinary approaches integrating medicinal chemistry, bioinformatics, structural biology, cheminformatics, and digital healthcare to improve molecular design, reduce research costs, and enhance drug development efficiency. Current evidence indicates that AI significantly improves the accuracy and speed of discovering novel therapeutic compounds while supporting personalized treatment strategies and optimizing clinical trials across diverse therapeutic areas. Despite these advancements, challenges remain regarding data quality, model interpretability, algorithmic bias, regulatory acceptance, and prospective clinical validation. Addressing these limitations through interdisciplinary collaboration and standardized validation frameworks will further strengthen the role of artificial intelligence in advancing drug discovery and medicinal chemistry.

Brain-targeted drug delivery represents one of the most challenging frontiers in pharmacology due to the presence of the blood–brain barrier (BBB), enzymatic degradation, and efflux transporters. Integration of biopharmaceutics with neuropharmacology has enabled the design of advanced delivery systems that enhance drug bioavailability, specificity, and therapeutic efficacy in central nervous system (CNS) disorders. This review explores current strategies for brain-targeted delivery, including nanoparticles, liposomes, polymeric carriers, and ligand-mediated systems. Mechanistic insights into BBB penetration, pharmacokinetic considerations, and clinical translation challenges are discussed. Future directions involve stimuli-responsive carriers, nanotheranostics, and precision neuropharmacology for personalized CNS therapy.

Nanoparticle drug delivery systems have evolved as a revolutionary approach to the treatment of cardiovascular diseases (CVDs). These systems present a highly hopeful alternative to traditional drugs, which often have limited bioavailability, systemic toxicity, poor solubility, and a dearth of targeted therapeutic effect. Liposomal, polymeric, metallic, and dendrimer-based nanoparticles are just a few examples of nanoscale carriers that can deliver drugs to injured tissues in a targeted fashion. This facilitates controlled and sustained drug release while at the same time reducing off-targeting effects. Nanotechnology can potentially enhance therapeutic responses significantly by aiding in the stabilization of medication, circulation time, and cellular internalization. This, in turn, will help to reduce unwanted effects and enhance patient care. The application of nanoparticles in tissue engineering is not only limited to the delivery of drugs but also plays a critical role in the regeneration of heart tissue and function as good contrast agents for imaging purposes, allowing for real-time monitoring of diseases. However, despite their enormous promise, their widespread clinical use is hampered by obstacles such as the toxicity of nanoparticles, the quick clearance of the immune system, intricacy of manufacture on a large scale, and onerous regulatory approval procedures. The effective integration of nanoparticle therapeutics with traditional cardiovascular treatment will depend upon the successful solution of these issues through the creation of biocompatible materials, effective surface modifications, and scalable manufacturing processes. Under the purview of this research, the latest advances in drug delivery through nanotechnology are explored, the mechanisms by which therapeutic action is enhanced are explored, and the potential future directions for implementing these advances into cardiovascular therapy protocols are explored.