Progress in Molecular Design and Synthesis of Anticancer Agents

Dear Colleagues,

This Special Issue explores breakthroughs driven by chemistry and computation to enhance selectivity and overcome drug resistance. We focus on transformative modalities related to Targeted Protein Degradation (TPD), including molecular glues, which catalytically eliminate previously "undruggable" proteins. This Special Issue highlights the application of Artificial Intelligence (AI) and generative deep learning for de novo inhibitor design and optimizing drug profiles. We invite articles on novel mechanisms, including the synthesis of small-molecule ferroptosis inducers and Tumor Microenvironment (TME) modulators (e.g., FAK/IDO inhibitors), alongside molecular strategies (e.g., efflux pump inhibitors) designed to circumvent Multidrug Resistance (MDR). By detailing innovative design, this Special Issue will advance personalized, synergistic cancer therapy.

Prof. Dr. José M. Padrón
Guest Editor

Dr. Adrián Puerta
Guest Editor Assistant

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