Anti-Parasitic Drugs: Mechanisms, Novel Molecules and Big Data Applications

Dear Colleagues,

Parasitic infections remain a global public health challenge, perpetually threatening vulnerable populations across tropical and subtropical regions, as well as posing significant risks to immunocompromised individuals worldwide. Despite decades of research, the emergence of drug resistance, the lack of efficacious vaccines for many pathogens, and the limitations of existing chemotherapies continue to underscore the urgent need for innovative intervention strategies. In recent years, the integration of omics technologies, artificial intelligence, and big data analytics has revolutionized the landscape of pharmaceutical discovery, offering unprecedented opportunities to accelerate the identification of novel drug targets, optimize molecular design, and unravel the complex mechanisms underlying parasite biology and drug resistance. This Special Issue seeks to capitalize on these transformative advances by fostering interdisciplinary dialog, thereby addressing critical gaps in translational research and paving the way for next-generation anti-parasitic interventions.

We are pleased to invite you to contribute an original research article and comprehensive review to this Special Issue, which aims to showcase cutting-edge developments at the interface of medicinal chemistry, parasitology, and computational biology.

Research areas may include (but are not limited to) the following:

• Novel drug discovery and development: Identification and preclinical evaluation of novel anti-parasitic small molecules, natural products, nanotherapeutics, and biologics; drug repurposing studies.
• Mechanisms of action and resistance: Genomic, transcriptomic, and proteomic analyses of parasite–drug interactions; functional characterization of drug targets and resistance-conferring mutations.
• Big data and computational parasitology: Machine learning and AI-driven target identification; virtual screening and molecular docking; network biology and systems medicine approaches; omics data integration for drug response prediction.
• Vaccinology and immunotherapy: Novel vaccine design strategies; immunomodulatory therapies; host–pathogen interaction studies.
• Translational medicine: Early-phase clinical trials and clinical evaluation of new candidates; pharmacokinetic and pharmacodynamic (PK/PD) modeling.

I look forward to receiving your contributions.

Dr. Chun-Xue Zhou
Guest Editor

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