Allosteric Modulators: Unlocking New Dimensions from Molecular Discovery to Therapeutic Potential
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 20 June 2026 | Viewed by 476
Special Issue Editors
2. Department of Pharmacology, Vanderbilt University School of Medicine, Nashville, TN 37232, USA
Interests: medicinal chemistry; allosteric modulators; GPCR and ion channel modulators; kinase inhibitors; neuroscience drug discovery; metabolic disorder medications
2. Department of Pharmacology, Vanderbilt University School of Medicine, Nashville, TN 37232, USA
Interests: medicinal chemistry; CNS drug discovery; GPCR; allosteric modulation; biased signaling; neuropsychopharmacology; neuroscience
2. Department of Pharmacology, Vanderbilt University School of Medicine, Nashville, TN 37232, USA
Interests: medicinal chemistry; targeted protein degradation (TPD) and PROTACs; target identification and kinase inhibitors; antimicrobial resistance (AMR); CNS drug discovery; GPCR
Special Issue Information
Dear Colleagues,
Allosteric modulation is a promising and increasingly indispensable strategy in contemporary drug discovery. In contrast to orthosteric ligands that engage the primary active site, allosteric modulators exert their influence through topographically distinct binding sites, enabling modulation of receptor conformation, signaling bias and receptor activation kinetics in a finely tuned manner. This alternative mode of regulation offers the potential for enhanced subtype selectivity and a broader therapeutic window. This Special Issue aims to showcase the latest advances in the discovery, characterization and therapeutic exploitation of allosteric modulators across a diverse range of medical conditions and diseases. We welcome original research articles, reviews, communications, and perspectives that explore:
- Identification and characterization of novel allosteric binding sites
- Protein–ligand interactions beyond the active site
- Modulation of isoform selectivity and signal bias
- Structure-based designs of allosteric modulators
- Allosteric modulation of GPCRs, kinases, ion channels and other pharmacological targets
- Integration of allosteric anchoring strategies into PROTACs, LYTACs and other heterobifunctional technologies
- Synergistic or cooperative interactions between orthosteric and allosteric sites
By bringing together cutting-edge studies from medicinal chemistry, structural biology, pharmacology and computational chemistry, this Special Issue seeks to illuminate how allosteric modulation continues to reshape our understanding of ligand-target engagement and to catalyze the development of next-generation therapeutics.
Dr. Changho Han
Dr. Lisa Barbaro
Dr. Kwangho Kim
Guest Editors
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
- allosteric binding sites
- protein–ligand interactions
- mechanism of action
- isoform selectivity
- signal bias
- structure-based design
- pharmacological profiling
- allosteric anchoring
- GPCRs
- ion channels
- kinases
- heterobifunctional ligand
- allosteric synergy
Benefits of Publishing in a Special Issue
- Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
- Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
- Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
- External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
- Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.
Further information on MDPI's Special Issue policies can be found here.
