Antimicrobial Research: In Silico Strategies for Drug Discovery Against Microbial Infections

A special issue of Microorganisms (ISSN 2076-2607). This special issue belongs to the section "Antimicrobial Agents and Resistance".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 10

Special Issue Editor


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Guest Editor
LAQV@REQUIMTE/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal
Interests: multi-target drug discovery; chemoinformatics; QSAR-based approaches; virtual screening; multi-scale de novo drug design; machine learning
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Special Issue Information

Dear Colleagues,

Microbial infections represent a global threat to public health. With the rise of antimicrobial resistance, there is a pressing need to develop more effective and safer antimicrobial agents to tackle microbial infections. Computational approaches can accelerate the discovery of novel and efficacious antimicrobial agents.

This special issue focuses on the key role of in silico approaches in the fight against microbial infections. We welcome high-impact contributions that explore computational methods such as AI/machine learning, QSAR, complex network analysis, classical ligand- and structure-based drug discovery, de novo design, etc. Submissions may cover a wide range of targets (from proteins to bacterial, fungal, viral, and parasitic strains) and include both novel and well-established computational techniques.

This Special Issue welcomes review articles, original research contributions, and perspectives where in silico strategies play a central role in antimicrobial drug discovery, including (but not limited to) lead identification, prediction of antimicrobial activity/efficacy, integration of multi-omics data, and many other topics.

Prof. Dr. Alejandro Speck-Planche
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 100 words) can be sent to the Editorial Office for announcement on this website.

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. Microorganisms 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 2700 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

  • antibacterial
  • antifungal
  • antiparasitic
  • antiviral
  • AI/machine learning
  • QSAR
  • complex network analysis
  • ligand-based drug discovery
  • structure-based drug discovery
  • de novo design
  • molecular modeling
  • chemoinformatics

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Published Papers

This special issue is now open for submission.
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