Advancements in Drug Repurposing and Computational Design
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".
Deadline for manuscript submissions: closed (30 April 2025) | Viewed by 1360
Special Issue Editor
Interests: systems biology; computational methods; cancer; machine learning; drug interactions
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue, titled "Advancements in Drug Repurposing and Computational Design", serves as a continuation of the previous Special Issue, "Molecular Advances in Computational Medicine and Drug Design".
Drug repurposing is a strategy for identifying new uses of existing drugs to reduce the costs and risks associated with conventional drug development. Computer-aided drug design is another substitute method for drug discovery. However, potential drug candidates from computational methods frequently do not make it to the market during validation. Therefore, to improve predictive power and validity, these research methods have been expanded to other multi-disciplinary subjects such as bioinformatics, chemistry, systems biology, and machine learning, with rapidly increasing open-source tools. Additionally, these research materials are utilized in molecular mRNA, miRNA, pathway, chemistry, and drug interaction analyses.
This Special Issue intends to compile current novel efforts and ideas for drug discovery design associated with computational methods and integrating molecular materials without limitations.
Dr. Shinuk Kim
Guest Editor
Manuscript Submission Information
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Keywords
- drug repurposing
- computational design
- drug discovery
- computer-aided drug design
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