Steroid Derivatives as Emerging Drug Candidates

Steroid derivatives represent a versatile and rapidly evolving class of bioactive molecules with significant potential in modern drug discovery. Owing to their well-defined structural framework and favorable pharmacokinetic properties, natural and semi-synthetic steroid compounds have served as valuable scaffolds for the development of therapeutics across multiple disease areas. Advances in synthetic chemistry, molecular modeling, and structure–activity relationship studies have enabled the rational design of novel steroid-based molecules with enhanced efficacy, selectivity, and safety profiles. Recent research has highlighted the therapeutic potential of steroid derivatives beyond their traditional endocrine applications, including anti-cancer, anti-inflammatory, antibacterial, antiviral, antifungal, and antiparasitic activities. Despite these advances, the translation of promising steroid derivatives into clinically useful drug candidates remains challenging, requiring multidisciplinary approaches that integrate medicinal chemistry, pharmacology, toxicology, and biological evaluation.This Research Topic aims to provide a comprehensive platform for presenting recent advances in the design, synthesis, biological evaluation, and therapeutic development of steroid derivatives as emerging drug candidates. Particular emphasis will be placed on semi-synthetic steroid compounds and innovative strategies for structural modification that improve biological activity, target selectivity, pharmacokinetic properties, and safety. We seek contributions that deepen our understanding of the molecular mechanisms underlying the pharmacological effects of steroid derivatives and that explore their potential for the treatment of cancer, inflammatory disorders, infectious diseases, and parasitic infections. By bringing together researchers from medicinal chemistry, pharmacology, toxicology, computational drug design, and related disciplines, this Research Topic aims to stimulate interdisciplinary collaborations, identify promising lead compounds, and highlight future directions that may accelerate the development of steroid-based therapeutics from laboratory research toward clinical application.This Research Topic particularly welcomes articles integrating natural product chemistry, synthetic and medicinal chemistry, computational approaches, and experimental biological evaluation, as well as interdisciplinary studies that advance the discovery and optimization of steroid-based drug candidates.Subthemes of interest include, but are not limited to:- Isolation, characterization and semi-synthetic modification of steroidal scaffolds from natural sources (e.g., plant, marine, fungal, microbial)- Design and synthesis of novel steroid derivatives with anticancer, anti-inflammatory, antibacterial, antiviral, antifungal, and antiparasitic activities- Structure-activity relationships and target-based optimization of steroidal leads- Pharmacological, pharmacokinetic, and toxicological evaluation of candidate compounds- Computational drug design, molecular docking and molecular dynamics- Delivery approaches that improve steroid lead exposure, selectivity, or translation- Translational approaches toward clinical development Topic editors: Ivana Kuzminac, Erzsébet Mernyák, Sofija Bekić Source: https://www.frontiersin.org/research-topics/84140/steroid-derivatives-as-emerging-drug-candidates