Multi-Omics and Computational Simulation Approaches: Unraveling Novel Antibacterial Mechanisms of Natural Products
A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".
Deadline for manuscript submissions: 30 November 2026 | Viewed by 115
Editor
Interests: fast detection; antimicrobial resistance; virulence; antibacterial action of natural compounds.
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Natural products have emerged as promising reservoirs of bioactive compounds for combating pathogenic bacteria, antimicrobial resistance and biofilm formation, offering safer and eco-friendly alternatives to synthetic antimicrobials. Unraveling their underlying molecular mechanisms remains a core challenge, as conventional experimental methods are limited in systematically revealing complex regulatory networks and molecular interactions. The rapid development of multi-omics technologies, combined with molecular docking and molecular dynamics simulations, provides powerful interdisciplinary tools to comprehensively explore the antibacterial targets, signaling pathways and metabolic perturbations induced by natural products.
This Special Issue focuses on cutting-edge advances in deciphering the novel antibacterial and anti-biofilm mechanisms of natural products via integrated multi-omics and computational simulation strategies. We welcome original research and review articles covering multi-omics profiling, target protein prediction, molecular interaction verification, and mechanisms exploring natural products against drug-resistant pathogens. Studies combining experimental validation with computational simulation are highly encouraged. This Special Issue aims to gather multidisciplinary findings to deepen the mechanistic understanding and promote the development and application of natural antibacterial agents.
Dr. Lili Li
Guest Editor
Manuscript Submission Information
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Keywords
- natural products
- antibacterial mechanism
- anti-biofilm
- multi-omics
- computational simulation
- drug-resistant pathogens
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