Introduction
This thematic issue focuses on next-generation dual- and multi-target inhibitors in cancer therapy, aiming to advance the understanding of their rational design, synthetic strategies, and Structure–Activity Relationships (SAR). It highlights modern design approaches and the synthesis of target molecules, alongside key SAR insights governing anticancer and target-inhibitory activities. In addition, molecular docking and molecular dynamics studies demonstrate binding interactions and stability, thereby providing translational insights into their therapeutic potential.
Keywords
Anticancer, Dual inhibitors, Multi-target inhibitors, Cytotoxicity, Drug design, Organic synthesis, Structure-activity relationship, Molecular docking
Sub-topics
Dual- and Multi-Target Inhibitors in Cancer Therapy
Rational Drug Design
Organic Synthesis
Structure-Activity Relationship (SAR) insights
Molecular Docking and Molecular Dynamics Simulations
Translational and Clinical Perspectives
Challenges, Opportunities, and Future Directions
