Advances in Novel Drug Development Based on Drug Target Structure and Function
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Pharmacology".
Deadline for manuscript submissions: 31 December 2026 | Viewed by 163
Special Issue Editor
Special Issue Information
Dear Colleagues,
We are living in a transformative era for drug discovery, driven by revolutionary advances in our ability to visualize and modulate drug targets. This Special Issue, entitled Advances in Novel Drug Development Based on Drug Target Structure and Function, will capture the latest breakthroughs enabled by cutting-edge structural and computational technologies. From the “resolution revolution” in cryo-electron microscopy (cryo-EM) to the predictive power of artificial intelligence (AI) in structural biology, these tools are opening up new frontiers in therapeutic design.
This Special Issue will explore how high-resolution structures of complex targets—particularly membrane proteins like GPCRs, ion channels, and transporters—are informing the development of small molecules, peptides, and biologics. We are particularly interested in manuscripts that highlight emerging paradigms, such as allosteric modulators, bias modulators, targeted protein degradation (TPD), and molecular glues, where a deep understanding of ternary complex structures is critical for optimizing efficacy. Submissions utilizing advanced computational techniques, including molecular dynamics simulations and AI-driven virtual screening, to tackle “undruggable” targets are especially welcome.
By showcasing these technological synergies, this Special Issue aims to provide a platform for discussing how structural insights are accelerating the drug development pipeline and enabling the design of more sophisticated, function-modulating therapeutics.
Dr. Wanchao Yin
Guest Editor
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. Pharmaceuticals is an international peer-reviewed open access monthly 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 2900 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
- resolution revolution
- cryo-EM
- artificial intelligence
- allosteric modulators
- bias modulators
- targeted protein degradation (TPD)
- molecular glues
- molecular dynamics simulations
- virtual screening
- rational drug design
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