Modern Drug Discovery: Design, Synthesis, Computational Modeling and Biological Evaluation of Bioactive Molecules
A Special Issue of Pharmaceuticals (ISSN 1424-8247) belonging to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 31 January 2027 | Viewed by 301
Editor
Interests: small-molecules drug design; anti-cancer drugs; organic synthesis; medicinal chemistry; cancer; metabolic reprogramming; enzymatic assays
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Novel bioactive small molecules and natural-derived compounds form the cornerstone of modern pharmaceutical research; yet, efficient hit identification, rational structural modification, and reliable activity validation remain core challenges in translational drug development. This Special Issue of Pharmaceuticals welcomes original research articles, short communications, and comprehensive reviews covering the full pipeline of drug discovery.
Accepted topics include rational molecular design; organic and green synthesis of lead candidates; in silico computational modeling, such as molecular docking, molecular dynamics, QSAR, and machine learning-aided target prediction; and systematic in vitro and in vivo pharmacological and toxicological biological assessments. Submissions focusing on natural bioactive agents, multi-target therapeutic agents, prodrugs, and formulation screening for improved bioavailability are highly encouraged. All contributions should emphasize clear pharmacological mechanisms to align with the journal’s scope of advancing preclinical pharmaceutical science and accelerating the translation of bioactive molecules into viable therapeutic candidates.
Dr. Giulia Bononi
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-anonymized 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
- drug design
- medicinal chemistry
- small molecules
- synthesis
- bioactive molecules
- biological evaluation
- computational drug discovery
- artificial intelligence
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