Drug Target Exploration and Drug Design & Development Based on Small Molecule: 2nd Edition
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Pharmacology".
Deadline for manuscript submissions: 25 July 2026 | Viewed by 1020
Special Issue Editors
Interests: oxidative stress; nutraceuticals; anticancer drugs; medicinal chemistry; drug design and discovery; molecular modeling; QSAR; pharmacophore modeling; molecular dynamics; docking; HTVS; cystic fibrosis translational readthrough inducing drugs (TRIDs)
Special Issues, Collections and Topics in MDPI journals
Interests: medicinal chemistry; drug design; computational chemistry; drug repurposing; green chemistry
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The development of novel therapeutics represents a significant area of scientific interest, with small-molecule compounds offering a promising frontier in this field of research. On a global scale, approximately 90% of all drugs sold are small molecules. Of the 293 new chemical entities that the FDA approved in 2017–22, 182 were small-molecule drugs (10.1016/j.med (idd.2020.100075)). It is also known that of all the 175 small molecules approved for cancer therapy from 1940 to 2014, 49% (85) were natural products or their derivatives, and these include vinca alkaloids, epipodophyllotoxin derivatives, taxanes, and camptothecin derivatives (https://doi.org/10.1007/s42977-022-00110-x). The ability of small molecules to modulate the functionality of diverse targets (proteins or nucleic acids) through the process of activation or inhibition provides a potential strategy for the treatment of conditions such as cancer, autoimmune disorders, infectious diseases, and inflammatory diseases (10.3390/ijms21155262).
The recent advancements in medicinal chemistry have facilitated the identification and development of small molecules by using classical and green methods. Moreover, the application of computational approaches such as docking and molecular dynamics has been crucial in the exploration of potential targets, including those that are traditionally considered 'undruggable' or orphans (https://doi.org/10.3390/books978-3-0365-2778-9). This Special Issue aims to provide a comprehensive overview of the latest advances in the research on drug target exploration as well as drug design and development based on small molecules. We welcome submissions from researchers in the field of drug discovery and design, including original research and review articles related to pharmaceutical sciences, pharmacology, chemical biology, and bioinformatics.
The first edition of our Special Issue, titled "Drug Target Exploration and Drug Design & Development Based on Small Molecule," garnered significant scholarly interest. Building upon this success, we are pleased to announce the release of its second edition “Drug Target Exploration and Drug Design & Development Based on Small Molecule: 2nd Edition”. This Special Issue aims to provide a comprehensive overview of the latest advances in the research on drug target exploration as well as drug design and development based on small molecules. We welcome submissions from researchers in the field of drug discovery and design, including original research and review articles related to pharmaceutical sciences, pharmacology, chemical biology, and bioinformatics.
Dr. Marco Tutone
Dr. Giulia Culletta
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
- small molecules
- drug design and development
- target exploration
- anticancer drugs
- anti-inflammatory drugs
- neuromodulation
- natural compounds
- nutraceuticals
- virtual screenings
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