New Theories, Strategies, and Technologies for Designing Original Medicinal Molecules

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About this Research Topic

Submission deadlines

  1. Manuscript Submission Deadline 21 November 2025

  2. This Research Topic is currently accepting articles.

Background

The field of medicinal chemistry is undergoing a revolution, spurred by breakthroughs in scientific understanding, innovative technologies, and novel methodological approaches. Rapid advancements in this field are poised to reshape how medicinal molecules are designed, signaling a shift from traditional methods toward more sophisticated and targeted strategies. The challenges posed by complex diseases demand a reimagined approach to drug discovery that transcends conventional boundaries, integrating biology and chemistry with cutting-edge computational techniques.

This Research Topic aims to explore the forefront of medicinal molecule design, scrutinizing innovative theories and methodologies that promise to enhance the specificity, efficacy, and safety of pharmaceuticals. It seeks to provide a comprehensive forum for researchers to propose and debate new frameworks for the rational design of medicinal compounds. As traditional drug discovery approaches encounter their limits, pioneering strategies that leverage biological, chemical, and computational sciences become crucial in creating more effective therapies.

To further our understanding of these complex dynamics, submissions are encouraged that focus on a wide variety of pivotal areas, including but not limited to:

• Computational Drug Design: The use of AI and machine learning to model and predict molecular behaviors and optimize therapeutic properties.
• Synthetic Methodologies: Advances in synthesis that prioritize sustainability and innovation in building complex molecular structures.
• Target Identification and Validation: Breakthrough techniques for discovering and validating new biological targets essential for disease management.
• Biopharmaceutical Innovations: Development of novel drug modalities like antibodies and nucleic acids targeting previously untreatable pathways.
• Translational Research: Bridging the experimental to the clinical, highlighting studies that focus on pharmacokinetics and patient-focused designs.

This Research Topic is open to contributions from both academic and industrial sectors, aiming to foster an environment of collaboration and innovation. By bringing together cutting-edge research, it aspires to guide the development of the next generation of therapeutic agents, enhancing patient outcomes and revolutionizing the field of medicinal chemistry.

Article types and fees

This Research Topic accepts the following article types, unless otherwise specified in the Research Topic description:

  • Editorial
  • Mini Review
  • Opinion
  • Original Research
  • Perspective
  • Review

Articles that are accepted for publication by our external editors following rigorous peer review incur a publishing fee charged to Authors, institutions, or funders.

Keywords: New chemical modality, Druggability optimization, Computer-aided drug design

Important note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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