Advances in Drug Design and Drug Discovery
A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Molecular Pharmacology".
Deadline for manuscript submissions: 28 February 2026 | Viewed by 11
Special Issue Editor
Interests: molecular pharmacology; cancer pharmacology; natural products; ethnomedicine
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Drug design and discovery is a dynamic field that has witnessed rapid progress due to the integration of computational sciences, structural biology, and biotechnology. Traditional approaches remain costly and time-consuming; however, recent innovations are addressing these limitations. Artificial intelligence (AI) and machine learning now allow prediction of drug-target interactions and optimization of chemical structures, accelerating early development stages. Structure-based drug design, powered by cryo-electron microscopy and crystallography, provides precise insights into molecular interactions, enabling the creation of highly selective drugs. Omics technologies—including genomics, proteomics, and metabolomics—are driving the identification of disease-associated pathways and biomarkers for personalized therapies. Beyond small molecules, biologics, and advanced modalities such as monoclonal antibodies, RNA-based therapeutics, and gene-editing approaches are expanding treatment possibilities. Drug repurposing, supported by computational tools and clinical data, offers faster translation into the clinic, while patient-derived models such as organoids improve preclinical predictions. Collectively, these advances are transforming drug discovery into a more precise, efficient, and patient-centered process. While challenges remain in cost, regulatory pathways, and accessibility, the innovations of the past decade mark a significant step forward in the development of safe and effective therapeutics.
Best regards,
Dr. Arjun Singh
Guest Editor
Manuscript Submission Information
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Keywords
- drug discovery
- drug design
- artificial intelligence
- structure-based drug design
- omics
- biologics
- precision medicine
- drug repurposing
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