Innovative and Advanced Approaches in Drug Design and 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: 30 November 2026 | Viewed by 178
Editor
Interests: organic materials based on π-conjugated molecules; physicochemical and optoelectronic properties; vibrational spectroscopy; quantum chemical calculations; QSAR studies on corrosion, toxicity, environment and pollution
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
This Special Issue seeks to showcase the latest developments in drug design and discovery, emphasizing new solutions that harness important molecular sciences, computational tools, or emerging technologies. Rapid advancements in molecular modeling, artificial intelligence, and high-throughput screening have facilitated the exploration of the modes of action of bioactive compounds, as well as the identification of new therapeutic targets.
These combined technologies help researchers create new drugs that work better, more targeted, and have fewer side effects. Molecular docking, virtual screening, structure-based drug design, and systems biology are key techniques that help speed up the drug discovery pipeline. Furthermore, the linkage of genomics, proteomics, and cheminformatics helps to improve the understanding of disease mechanisms and personalized medicine, which can lead to the development of targeted therapies tailored to individual patient profiles.
Additionally, emerging global health challenges have underscored the need for rapid and efficient drug discovery systems to address burgeoning pandemics or multi-drug resistance, both of which demand novel solutions and accelerated new therapeutics development. Interdisciplinary approaches are essential for guiding the discovery of therapeutics to combat emerging diseases.
Thus, the aim of this Special Issue is to publish high-quality articles (original research, reviews, short communications, and clinical studies) pertaining to current and emerging trends in drug design and discovery.
We look forward to receiving valuable contributions from researchers and academicians around the world.
Prof. Dr. Mohammed Bouachrine
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. Current Issues in Molecular Biology 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 2200 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
- drug design
- drug discovery
- molecular docking
- virtual screening
- molecular modeling
- artificial intelligence
- machine learning
- cheminformatics
- ADMET prediction
- target identification
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