Molecular Pharmacology and Biological Activities of Natural and Derivatives Bioactive Compounds
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".
Deadline for manuscript submissions: 30 November 2026 | Viewed by 952
Editors
Interests: natural compounds; synthetic derivatives of natural compounds; antimicrobial; biological activity; mechanism of action; therapeutic potential; molecular docking
Special Issues, Collections and Topics in MDPI journals
Interests: pharmaceutical microbiology; antibacterial compounds; antifungals; medical chemistry; molecular biology
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Natural products (NPs) have long been a cornerstone of drug discovery and development, offering a diverse array of chemical scaffolds, pharmacological profiles, and novel mechanisms of action. Spanning from traditional folk medicine and herbal remedies to modern pharmaceutical formulations, NPs remain instrumental in addressing global health challenges. These bioactive constituents—derived from primary and secondary metabolites of plants, marine organisms, and microorganisms—frequently serve as templates for molecular optimization. Recent advances in extraction, chemical synthesis, and biotechnological methods have expanded the horizon of NP research. These developments allow scientists to modify lead compounds to create derivatives with enhanced efficacy, greater target affinity, and superior pharmacokinetic profiles. Furthermore, the integration of computer-aided drug design (CADD) has become a pivotal element in modern drug discovery, particularly in navigating the vast chemical space provided by natural resources. Beyond therapeutic applications, NPs contribute significantly to the development of nutraceuticals and functional food colorants, exhibiting diverse biological activities such as immunomodulatory, anti-carcinogenic, and neuroprotective effects.
However, despite these technological strides, the optimization of new drug candidates remains a formidable challenge. The emergence of novel human and animal pathologies, escalating antimicrobial resistance, and the increasing recalcitrance of tumors necessitate the urgent identification of next-generation bioactive compounds. Consequently, there is a renewed global imperative to explore natural reservoirs for potent therapeutic agents capable of treating neurological disorders and complex immune-related conditions.
Dr. Rafał Hałasa
Dr. Katarzyna Turecka
Guest Editors
Manuscript Submission Information
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Keywords
- molecular pharmacology
- therapeutic potential
- natural compounds
- synthetic derivatives of natural compounds
- biological activity
- mechanism of action
- molecular docking
- anticancer
- antimicrobial
- pharmacokinetics
- pharmacodynamics
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