Progress in Drug Design: Science and Practice
Topic Information
Dear Colleagues,
Drug design is a complex and evolving field within pharmaceutical science that aims to develop new synthetic compounds based on knowledge of biological targets. Over time, drug design has evolved into a well-organized science with a solid theoretical background and practical applications. Rational drug design uses knowledge of biological targets to create complementary molecules, involves ligand-based and structure-based design methods, and often employs computer-aided techniques for modeling and prediction.
The optimization of drug synthesis and properties including efficacy, safety, bioavailability, and metabolic stability should be considered; focus should be placed on "drug-like" properties to improve oral bioavailability and reduce toxicity. An increased emphasis should be placed on personalized medicine and targeted therapies, as well as the development of more sophisticated predictive models for drug efficacy and safety.
Drug design remains a critical component of pharmaceutical research, combining scientific innovation with practical applications to address unmet medical needs and improve patient outcomes.
Dr. Rui M. V. Abreu
Dr. Maria João Queiroz
Topic Editors
Keywords
- rational drug design
- computer-aided drug design
- drug discovery
- synthesis
- biological targets
- molecular docking
- molecular dynamics
- virtual screening
- QSAR (quantitative structure–activity relationship)
- pharmacokinetics