Progress in Molecular Design and Synthesis of Anticancer Agents
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 30 June 2026 | Viewed by 166
Special Issue Editors
Interests: anticancer compounds; drug discovery; drug design; phenotypic assays; mechanism of action; chemical databases
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
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
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- molecular design
- targeted protein degradation
- molecular glues
- targeted covalent inhibitor
- artificial intelligence in drug discovery
- ferroptosis
- multidrug resistance
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