AIMC Topic: Escherichia coli

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Molecular Mechanism of Na/H Antiporting in NhaA.

Journal of chemical theory and computation
Sodium-proton antiporter NhaA of is a paradigm to investigate the mechanistic basis of the fundamental Na/H exchange in cells. However, all existing crystal structures of NhaA are inward-facing (IF), and the putative outward-facing (OF) structures a...

From AI-Driven Sequence Generation to Molecular Simulation: A Comprehensive Framework for Antimicrobial Peptide Discovery.

Journal of chemical information and modeling
Antimicrobial Peptides (AMPs) are a promising strategy to address bacterial resistance, yet only a limited number have advanced to clinical trials. Recent advances in deep learning provide new opportunities for AMP design. Here, we propose an integra...

Potential application of Healitide-GP1, a novel antibacterial peptide, in wound healing: in vitro studies.

Scientific reports
Wound healing is a complex process that can be compromised by bacterial infections, leading to delayed healing and an increased risk of complications. The aim of this study was to design and develop a novel antibacterial peptide, Healitide-GP1, which...

Accurate modeling and simulation of the effect of bacterial growth on the pH of culture media using artificial intelligence approaches.

Scientific reports
This research investigates the impact of bacterial growth on the pH of culture media, emphasizing its significance in microbiological and biotechnological applications. A range of sophisticated artificial intelligence methods, including One-Dimension...

Advancing Whole-Cell Biosensors: Kinetics-Dependent Metabolic SERS Analytics for Pollutant Differentiation and Quantification.

Analytical chemistry
Whole-cell biosensors (WCBs), which detect targeting analytes through cellular responses, have become powerful tools for environmental monitoring. However, existing WCBs often rely on the single-channel low-dimension signal outputs (e.g., fluorescenc...

LC-MS/MS metabolomics unravels the resistant phenotype of carbapenemase-producing Enterobacterales.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacterales (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy inc...

Machine learning-assisted comparative QSTR, i-QSTTR, qRASTR, and i-qRASTTR modelling for toxicity of Ionic liquids against three different bacteria S. aureus, E. coli, and P. aeruginosa.

Journal of hazardous materials
Ionic liquids (ILs) with tunable structures have emerged as promising next-generation biocides. In this study, we presented an ML-based q-RASTR framework, along with i-qRASTTR approach, to predict the toxicity of ILs against different bacteria. Vario...

Bioinspired multifunctional conductive hydrogel based on hydroxypropyl methyl cellulose for flexible sensors.

Carbohydrate polymers
Conductive hydrogels based on hydroxypropyl methyl cellulose (HPMC) show great potential in flexible sensors due to their low price and good biocompatibility. Nevertheless, the design of such conductive hydrogels with superior flexible deformability,...

Reflection-Enhanced Raman Identification of Single Bacterial Cells Patterned Using Capillary Assembly.

ACS sensors
Raman spectroscopy is an enticing tool for the rapid identification of pathogenic bacteria and has the potential to meet the demand for early diagnosis and timely treatment of patients. However, it remains a challenge to devise a reliable Raman detec...

Measurement and prediction of small molecule retention by Gram-negative bacteria based on a large-scale LC/MS screen.

Scientific reports
The challenge of assessing intracellular accumulation represents a major hurdle to the discovery of new antibiotics with Gram-negative activity. To address this, a high-throughput assay was developed to measure compound uptake and retention in Escher...