Nature-Inspired and Synthetic Compounds: New Frontiers in Bioactivity and Drug Discovery

Dear Colleagues,

Natural products and their synthetic analogues have long played a fundamental role in the discovery of new therapeutic candidates. Nature-inspired molecules continue to influence drug design, while recent advances in synthetic chemistry, biotechnology, and computational tools have significantly improved the bioactivity, stability, and selectivity of drug candidates.

This Special Issue aims to present high-quality research on bioactive compounds—whether derived from natural sources or synthetically engineered—with promising pharmacological potential against a broad spectrum of diseases. These include cancer, infectious and neurodegenerative disorders, metabolic syndromes, autoimmune and inflammatory diseases, cardiovascular and dermatological conditions, and age-related ailments.

This Special Issue showcases innovative strategies tackling global health challenges through drug discovery and development. Topics of interest include the elucidation of molecular and cellular mechanisms of action, the discovery and profiling of novel natural or synthetic products, the improvement of drug efficacy and safety, and the development of advanced, eco-friendly delivery systems to improve bioavailability and therapeutic targeting. Special attention will be given to the integration of emerging technologies—such as artificial intelligence, machine learning, digital twin modeling, and the Internet of Things—in optimizing drug design, disease modeling, and personalized medicine. This multidisciplinary platform supports the transition toward more sustainable and efficient pharmaceutical innovation.

Dr. Alina Bora
Dr. Luminita Crisan
Guest Editors

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