Modern Strategies in Antibacterial Discovery: Integrating In Silico Predictions with In Vitro Validation
A special issue of Antibiotics (ISSN 2079-6382). This special issue belongs to the section "The Global Need for Effective Antibiotics".
Deadline for manuscript submissions: 30 April 2027 | Viewed by 899
Editor
Interests: antibiotics; drug design; Mur ligases; cell wall; medicinal chemistry; peptidoglycan; computer-aided drug design; machine learning
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The global rise of antimicrobial resistance (AMR) continues to outpace the development of traditional antibiotics, necessitating a paradigm shift in how we discover and optimize new antibacterial scaffolds. As we look toward 2030 and beyond, the integration of computational intelligence with robust synthetic methodology is no longer optional; it is essential.
This Special Issue of Antibiotics aims to showcase a holistic view of modern antibacterial research. We seek to bridge the gap between theoretical prediction and laboratory reality. We invite original research and comprehensive reviews that traverse the entire drug discovery pipeline, including:
- Computational Frontiers: Utilizing machine learning (ML), deep learning, and advanced molecular docking for target prediction and virtual screening.
- Synthetic Innovation: New methodologies in organic synthesis, including the development of novel heterocyclic scaffolds, natural product total synthesis, and late-stage functionalization of known antibacterial agents.
- Targeted Analysis: Identification of novel bacterial targets (e.g., cell wall biosynthetic enzymes, virulence factors, or metabolic pathways) and the subsequent validation through biochemical assaying.
- Integrated Platforms: Studies that combine in silico hit identification with subsequent chemical synthesis and rigorous in vitro/in vivo biological evaluation.
By bringing together chemists, bioinformaticians, and microbiologists, this Special Issue will serve as a multidisciplinary forum for the latest breakthroughs in the fight against resistant pathogens. We look forward to receiving your contributions.
Dr. Rok Frlan
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. Antibiotics 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
- artificial intelligence/machine learning in drug discovery
- total synthesis & methodology lead optimization
- target identification & validation
- structure-activity relationship (SAR)
- enzymatic assays
- molecular modeling
- drug-resistant pathogens
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