4.7 Article

High-throughput screening and molecular dynamics simulations of natural products targeting LuxS/AI-2 system as a novel antibacterial strategy for antibiotic resistance in Helicobacter pylori

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biotechnology & Applied Microbiology

SignalP 6.0 predicts all five types of signal peptides using protein language models

Felix Teufel et al.

Summary: Signal peptides are short amino acid sequences that regulate protein secretion and translocation. SignalP 6.0, a machine learning model, is introduced to detect all types of signal peptides, including those applicable to metagenomic data.

NATURE BIOTECHNOLOGY (2022)

Article Medicine, Research & Experimental

Virtual screening and in vitro experimental verification of LuxS inhibitors from natural products for Lactobacillus reuteri

Fanying Meng et al.

Summary: In this study, by regulating the quorum sensing mechanism in bacteria, it was found that four natural products (norathyriol, mangiferin, baicalein, and kaempferol) can enhance the viability of Lactobacillus reuteri 1-12 and promote its colonization and biofilm formation in the intestines. The results suggest that mangiferin may be a potential LuxS inhibitor, which can improve the probiotic properties of Lactobacillus reuteri and contribute to human health.

BIOMEDICINE & PHARMACOTHERAPY (2022)

Review Infectious Diseases

Helicobacter pylori Biofilm-Related Drug Resistance and New Developments in Its Anti-Biofilm Agents

Chong Hou et al.

Summary: Helicobacter pylori is a common pathogenic bacterium with high drug resistance, and biofilms play a significant role in protecting bacteria from antibiotics.

INFECTION AND DRUG RESISTANCE (2022)

Review Pharmacology & Pharmacy

Helicobacter Pylori-Induced Gastric Infections: From Pathogenesis to Novel Therapeutic Approaches Using Silver Nanoparticles

Romelia Pop et al.

Summary: Helicobacter pylori is a leading bacterial carcinogen and the main cause of gastroduodenal diseases. The high rates of antimicrobial drug resistance pose challenges to current therapies, making the exploration of new treatment options necessary. Silver nanoparticles offer advantages in improving H. pylori therapy and overcoming drug resistance.

PHARMACEUTICS (2022)

Article Biochemistry & Molecular Biology

Development of parameters compatible with the CHARMM36 force field for [Fe4S4](2+) clusters and molecular dynamics simulations of adenosine-5'-phosphosulfate reductase in GROMACS 2019

Talis Uelisson da Silva et al.

Summary: DFT calculations were used to obtain parameters compatible with the CHARMM36 force field for Fe-S clusters coordinated to APSrAB. Molecular dynamics simulations were performed to validate the parameters and stability of the systems. The results indicated good stability of the clusters and agreement with previous studies.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)

Article Gastroenterology & Hepatology

AI-2 represses CagA expression and bacterial adhesion, attenuating the Helicobacter pylori-induced inflammatory response of gastric epithelial cells

Yancheng Wen et al.

Summary: AI-2 plays an important role in the pathogenesis of H. pylori by inhibiting bacterial adhesion, expression, and translocation of CagA, and attenuating the inflammatory response of AGS cells induced by H. pylori.

HELICOBACTER (2021)

Review Biotechnology & Applied Microbiology

Natural products in drug discovery: advances and opportunities

Atanas G. Atanasov et al.

Summary: Natural products and their analogues have historically played a significant role in pharmacotherapy, however, they also present challenges. Recent technological and scientific developments are addressing these challenges and revitalizing interest in natural products as drug leads, particularly for combating antimicrobial resistance.

NATURE REVIEWS DRUG DISCOVERY (2021)

Article Chemistry, Multidisciplinary

Epigallocatechin Gallate with Potent Anti-Helicobacter pylori Activity Binds Efficiently to Its Histone-like DNA Binding Protein

Ritu Raj et al.

Summary: The study focuses on finding natural compounds as alternative therapeutic options to antibiotics, evaluating their antibacterial activity against H. pylori, and exploring their binding with key proteins of H. pylori.

ACS OMEGA (2021)

Review Microbiology

Quorum-Sensing Regulation of Antimicrobial Resistance in Bacteria

Xihong Zhao et al.

MICROORGANISMS (2020)

Review Integrative & Complementary Medicine

Developing natural products as potential anti-biofilm agents

Lan Lu et al.

CHINESE MEDICINE (2019)

Article Chemistry, Medicinal

3-Acyltetramic acids as a novel class of inhibitors for human kallikreins 5 and 7

Acacio S. de Souza et al.

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2019)

Review Microbiology

Helicobacter pylori Biofilm Formation and Its Potential Role in Pathogenesis

Skander Hathroubi et al.

MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS (2018)

Article Biochemistry & Molecular Biology

ProTox-II: a webserver for the prediction of toxicity of chemicals

Priyanka Banerjee et al.

NUCLEIC ACIDS RESEARCH (2018)

Review Biochemistry & Molecular Biology

Quorum-Sensing Systems as Targets for Antivirulence Therapy

Tom Defoirdt

TRENDS IN MICROBIOLOGY (2018)

Review Gastroenterology & Hepatology

A proposed role for diffusible signal factors in the biofilm formation and morphological transformation of Helicobacter pylori

Pawel Krzyzek et al.

TURKISH JOURNAL OF GASTROENTEROLOGY (2018)

Article Food Science & Technology

Computational prediction of immune cell cytotoxicity

Anna K. Schrey et al.

FOOD AND CHEMICAL TOXICOLOGY (2017)

Article Biochemistry & Molecular Biology

Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations

Kai Liu et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2017)

Article Chemistry, Multidisciplinary

ClassyFire: automated chemical classification with a comprehensive, computable taxonomy

Yannick Djoumbou Feunang et al.

JOURNAL OF CHEMINFORMATICS (2016)

Article Multidisciplinary Sciences

Structural insights into conformational stability of both wild-type and mutant EZH2 receptor

Imlimaong Aier et al.

SCIENTIFIC REPORTS (2016)

Article Food Science & Technology

Inhibitory Effect of Epigallocatechin Gallate on the Virulence of Clostridium difficile PCR Ribotype 027

Bohyun Yun et al.

JOURNAL OF FOOD SCIENCE (2015)

Article Chemistry, Medicinal

iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

Antoine Daina et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Medicinal

AutoDock4Zn: An Improved Auto Dock Force Field for Small-Molecule Docking to Zinc Metalloproteins

Diogo Santos-Martins et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Medicinal

g_mmpbsa-A GROMACS Tool for High-Throughput MM-PBSA Calculations

Rashmi Kumari et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)

Article Chemistry, Physical

Building Water Models: A Different Approach

Saeed Izadi et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Microbiology

Screening of Actinobacillus pleuropneumoniae LuxS Inhibitors

Lu Li et al.

CURRENT MICROBIOLOGY (2013)

Review Microbiology

AI-2-mediated signalling in bacteria

Catarina S. Pereira et al.

FEMS MICROBIOLOGY REVIEWS (2013)

Article Mathematical & Computational Biology

Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

Wolfgang Schreiner et al.

COMPUTATIONAL AND MATHEMATICAL METHODS IN MEDICINE (2012)

Article Chemistry, Physical

A Comparison of Multiscale Methods for the Analysis of Molecular Dynamics Simulations

Noah C. Benson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2012)

Review Immunology

LuxS and quorum-sensing in Campylobacter

Paul J. Plummer

FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY (2012)

Review Biochemistry & Molecular Biology

A Historical Overview of Natural Products in Drug Discovery

Daniel A. Dias et al.

METABOLITES (2012)

Article Chemistry, Medicinal

LigPlot+: Multiple Ligand-Protein Interaction Diagrams for Drug Discovery

Roman A. Laskowski et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Biochemistry & Molecular Biology

Inhibition of S-ribosylhomocysteinase (LuxS) by substrate analogues modified at the ribosyl C-3 position

Stanislaw F. Wnuk et al.

BIOORGANIC & MEDICINAL CHEMISTRY (2009)

Article Biochemical Research Methods

ChemmineR: a compound mining framework for R

Yiqun Cao et al.

BIOINFORMATICS (2008)

Review Pharmacology & Pharmacy

Natural products in drug discovery

Alan L. Harvey

DRUG DISCOVERY TODAY (2008)

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Biotechnology & Applied Microbiology

Quantitative effect of luxS gene inactivation on the fitness of Helicobacter pylori

Woo-Kon Lee et al.

APPLIED AND ENVIRONMENTAL MICROBIOLOGY (2006)

Review Biochemistry & Molecular Biology

Mechanism of action S-ribosylhomocysteinase (LuxS)

DH Pei et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2004)

Article Chemistry, Multidisciplinary

UCSF chimera - A visualization system for exploratory research and analysis

EF Pettersen et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Multidisciplinary Sciences

Bacteria-host communication: The language of hormones

V Sperandio et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)

Review Microbiology

LuxS quorum sensing: more than just a numbers game

KB Xavier et al.

CURRENT OPINION IN MICROBIOLOGY (2003)

Article Chemistry, Multidisciplinary

A conformational flexibility scale for amino acids in peptides

F Huang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2003)

Article Biochemistry & Molecular Biology

The 1.2 Å structure of a novel quorum-sensing protein, Bacillus subtilis LuxS

SN Ruzheinikov et al.

JOURNAL OF MOLECULAR BIOLOGY (2001)

Article Multidisciplinary Sciences

Crystal structure of the quorum-sensing protein LuxS reveals a catalytic metal site

MT Hilgers et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)

Article Multidisciplinary Sciences

Electrostatics of nanosystems: Application to microtubules and the ribosome

NA Baker et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2001)

Review Immunology

Bacterial quorum sensing in pathogenic relationships

TR de Kievit et al.

INFECTION AND IMMUNITY (2000)