Application of artificial intelligence in microbial drug discovery: Unlocking new frontiers in biotechnology.

J Microbiol Methods

Marine Integrated Biomedical Technology Center, The National Key Research Institutes in Universities, Pukyong National University, Busan 48513, Republic of Korea; Research Center for Marine Integrated Bionics Technology, Pukyong National University, Busan 48513, Republic of Korea; Interdisciplinary

Published: August 2025


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

Artificial intelligence (AI) is revolutionizing antimicrobial drug discovery by delivering major improvements in precision, innovation, and efficiency for combating bacterial, fungal, and viral pathogens. Traditional approaches to developing treatments for microbial infections are often hampered by high costs, lengthy timelines, and frequent failures. Modern AI technologies, particularly deep learning, machine learning, computational biology, and big data analytics, provide robust solutions to these challenges by analyzing large-scale biological datasets to predict molecular interactions, identify promising treatment candidates, and expedite both preclinical and clinical development. Innovative techniques such as generative adversarial networks for novel compound discovery, reinforcement learning for optimizing antimicrobial candidates, and natural language processing for extracting knowledge from biomedical literature are now vital to infectious disease research. These approaches facilitate early toxicity prediction, microbial target identification, virtual screening, and the development of more individualized therapies. Notwithstanding these advances, challenges remain, including inconsistent data quality, limited interpretability, and unresolved ethical or legal concerns. This review examines recent advancements in AI applications for microbial drug discovery, with a focus on de novo molecular design, ligand- and structure-based screening, and AI-enabled biomarker identification. Remaining application barriers and promising future directions in AI-driven antimicrobial drug development are also elucidated. Collectively, these innovations are poised to accelerate the discovery of new therapies, reduce costs, and enhance patient outcomes in the fight against infectious diseases.

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.mimet.2025.107232DOI Listing

Publication Analysis

Top Keywords

drug discovery
12
artificial intelligence
8
microbial drug
8
antimicrobial drug
8
discovery
5
application artificial
4
microbial
4
intelligence microbial
4
drug
4
discovery unlocking
4

Similar Publications

A novel isatin-thiazole-coumarin hybrid and three isatin-hydantoin hybrids were synthesized and assessed for their α-glucosidase and anticholinesterase inhibitory activities. Moreover, their anticancer properties have been observed against the breast cancer cell lines MCF-7 and MDA-MB-231. The coumarin-containing hybrid exhibited the most potent biological activity across all assays.

View Article and Find Full Text PDF

Isatin (1-indole-2,3-dione) is a privileged nitrogen-containing heterocyclic framework that has received considerable attention in anticancer drug discovery owing to its general biological behavior and structural diversity. This review focuses on isatin-heterocyclic hybrids as a valuable model in the development of new anti-cancer drugs that may reduce side effects and help overcome drug resistance, discussing their synthetic approaches and mechanism of action as apoptosis induction through kinase inhibition. With various chemical modifications, isatin had an excellent ability to build powerful isatin hybrids and conjugates targeting multiple oncogenic pathways.

View Article and Find Full Text PDF

Thunb is endogenous to Southeast Asia and traditionally used for the treatment of bacterial and viral infections. Previous studies reported various pharmacological activities, including cytotoxic activity. The aim of this work was to identify phytoconstituents of the ethanolic extract of aerial parts using extensive 1D- and 2D-NMR analysis and HR-MS.

View Article and Find Full Text PDF

Introduction: Studies suggest that serotonin (5-HT) plays an important role in alcohol use disorder (AUD). While several receptor subtypes modulate the role of 5-HT in AUD, evidence suggests that 5-HT and 5-HT receptors may be directly involved in alcohol drinking due to their interaction with the mesolimbic dopaminergic system. The aim of the present study was to investigate the effects of 5-HT and 5-HT antagonists, alone or in combination, on the acquisition and expression (i.

View Article and Find Full Text PDF

Formyl peptide receptor 1 (FPR1) is a G protein-coupled receptor (GPCR) that mediates chemotaxis and bactericidal activities in phagocytes. The monoclonal antibody 5F1 is generated against full-length FPR1 and used widely for detection of FPR1 expression. This study aimed to characterize 5F1 for its functions.

View Article and Find Full Text PDF