Computational and Biological Evaluation of β-Adrenoreceptor Blockers as Promising Bacterial Anti-Virulence Agents

Pulmonary Targeting of Inhalable Moxifloxacin Microspheres for Effective Management of Tuberculosis

(2021) Bhavya Vishwa et al.   Pharmaceutics

Repurposing of antidiabetics as Serratia marcescens virulence inhibitors

(2021) Wael A.H. Hegazy et al.   BRAZILIAN JOURNAL OF MICROBIOLOGY

Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach

(2021) Fábio G. Martins et al.   MOLECULES

Xylitol Inhibits Growth and Blocks Virulence in Serratia marcescens

(2021) Ahdab N. Khayyat et al.   Microorganisms

Deciphering the molecular basis of the kappa opioid receptor selectivity: A Molecular Dynamics study

(2021) Amr H. Saleh et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Celastrol Modulates Multiple Signaling Pathways to Inhibit Proliferation of Pancreatic Cancer via DDIT3 and ATF3 Up-Regulation and RRM2 and MCM4 Down-Regulation

(2021) Mahmoud Youns et al.   OncoTargets and Therapy

Not Only Antimicrobial: Metronidazole Mitigates the Virulence of Proteus mirabilis Isolated from Macerated Diabetic Foot Ulcer

(2021) Ahdab N. Khayyat et al.   Applied Sciences-Basel

Tackling Virulence of Pseudomonas aeruginosa by the Natural Furanone Sotolon

(2021) Mohammed F. Aldawsari et al.   Antibiotics-Basel

High-Throughput Virtual Screening for a New Class of Antagonist Targeting LasR of Pseudomonas aeruginosa

(2021) Aishwarya Vetrivel et al.   ACS Omega

Secnidazole Is a Promising Imidazole Mitigator of Serratia marcescens Virulence

(2021) Ahdab N. Khayyat et al.   Microorganisms

Alteration of Salmonella enterica Virulence and Host Pathogenesis through Targeting sdiA by Using the CRISPR-Cas9 System

(2021) Momen Askoura et al.   Microorganisms

A Novel Use of Allopurinol as A Quorum-Sensing Inhibitor in Pseudomonas aeruginosa

(2021) Ahmed Al Saqr et al.   Antibiotics-Basel

Anti-diabetics and antimicrobials: Harmony of mutual interplay

(2021) Wael A H Hegazy et al.   World Journal of Diabetes

Effect of New Analogs of Hexyloxy Phenyl Imidazoline on Quorum Sensing in Chromobacterium violaceum and In Silico Analysis of Ligand-Receptor Interactions

(2020) José Luis Herrera-Arizmendi et al.   Journal of Chemistry

Ciprofloxacin interferes with Salmonella Typhimurium intracellular survival and host virulence through repression of Salmonella pathogenicity island-2 (SPI-2) genes expression

(2020) Momen Askoura et al.   Pathogens and Disease

Repurposing anti-diabetic drug “Sitagliptin” as a novel virulence attenuating agent in Serratia marcescens

(2020) Hisham A. Abbas et al.   PLoS One

Biological evaluation and molecular modeling of peptidomimetic compounds as inhibitors for O-GlcNAc transferase (OGT)

(2020) Suraby O. Albuquerque et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Virtual Screening of FDA-Approved Drugs against LasR of Pseudomonas aeruginosa for Antibiofilm Potential

(2020) Suhaib Sadiq et al.   MOLECULES

Repurposing Anti-diabetic Drugs to Cripple Quorum Sensing in Pseudomonas aeruginosa

(2020) Wael A. H. Hegazy et al.   Microorganisms

Inhibition of Quorum Sensing and Biofilm Formation in Chromobacterium violaceum by Fruit Extracts of Passiflora edulis

(2020) Mahendrarajan Venkatramanan et al.   ACS Omega

Screening of Bacterial Quorum Sensing Inhibitors in a Vibrio fischeri LuxR-Based Synthetic Fluorescent E. coli Biosensor

(2020) Xiaofei Qin et al.   Pharmaceuticals

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

(2019) Acácio S. de Souza et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Ribavirin and Interferon Therapy for Critically Ill Patients with the Middle East Respiratory Syndrome: A multicenter observational study

(2019) Yaseen Arabi et al.   CLINICAL INFECTIOUS DISEASES

In silico Selection and Experimental Validation of FDA-Approved Drugs as Anti-quorum Sensing Agents

(2019) Marta Mellini et al.   Frontiers in Microbiology

Biomolecular Simulations under Realistic Macroscopic Salt Conditions

(2018) Gregory A. Ross et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CASTp 3.0: computed atlas of surface topography of proteins

(2018) Wei Tian et al.   NUCLEIC ACIDS RESEARCH

Bacterial Quorum Sensing and Microbial Community Interactions

(2018) Rhea G. Abisado et al.   mBio

Binding Affinity via Docking: Fact and Fiction

(2018) Tatu Pantsar et al.   MOLECULES

Virtual Screening and Biomolecular Interactions of CviR-Based Quorum Sensing Inhibitors Against Chromobacterium violaceum

(2018) Vinothkannan Ravichandran et al.   Frontiers in Cellular and Infection Microbiology

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Structural determinants driving homoserine lactone ligand selection in the Pseudomonas aeruginosa LasR quorum-sensing receptor

(2018) Amelia R. McCready et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Standardization of virtual-screening and post-processing protocols relevant to in-silico drug discovery

(2018) Sunita Gupta et al.   3 Biotech

Virtual screening and biological evaluation of biofilm inhibitors on dual targets in quorum sensing system

(2017) Yinqiu Xu et al.   Future Medicinal Chemistry

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

(2017) Kai Liu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Quorum sensing signal–response systems in Gram-negative bacteria

(2016) Kai Papenfort et al.   NATURE REVIEWS MICROBIOLOGY

What a Dinner Party! Mechanisms and Functions of Interkingdom Signaling in Host-Pathogen Associations

(2016) Melissa M. Kendall et al.   mBio

Bacterial Adrenergic Sensors Regulate Virulence of Enteric Pathogens in the Gut

(2016) Cristiano G. Moreira et al.   mBio

EepR Mediates Secreted-Protein Production, Desiccation Survival, and Proliferation in a Corneal Infection Model

(2015) Kimberly M. Brothers et al.   INFECTION AND IMMUNITY

Studies on synthetic LuxR solo hybrids

(2015) Daniel Passos da Silva et al.   Frontiers in Cellular and Infection Microbiology

Chemistry, Physiology, and Pharmacology of β.-Adrenergic Mechanisms in the Heart. Why are .β-Blocker Antiarrhythmics Superior?

(2015) A. Szentmiklosi et al.   CURRENT PHARMACEUTICAL DESIGN

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

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Molecular mechanisms of antibiotic resistance

(2014) Jessica M. A. Blair et al.   NATURE REVIEWS MICROBIOLOGY

A flexible algorithm for calculating pair interactions on SIMD architectures

(2013) Szilárd Páll et al.   COMPUTER PHYSICS COMMUNICATIONS

Exploiting Quorum Sensing To Confuse Bacterial Pathogens

(2013) B. LaSarre et al.   MICROBIOLOGY AND MOLECULAR BIOLOGY REVIEWS

Bacterial Quorum Sensing: Its Role in Virulence and Possibilities for Its Control

(2013) S. T. Rutherford et al.   Cold Spring Harbor Perspectives in Medicine

Interplay between the QseC and QseE Bacterial Adrenergic Sensor Kinases in Salmonella enterica Serovar Typhimurium Pathogenesis

(2012) Cristiano G. Moreira et al.   INFECTION AND IMMUNITY

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

(2012) Noah C. Benson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Pathogen espionage: multiple bacterial adrenergic sensors eavesdrop on host communication systems

(2012) Michail H. Karavolos et al.   MOLECULAR MICROBIOLOGY

Screening for novel quorum-sensing inhibitors to interfere with the formation of Pseudomonas aeruginosa biofilm

(2011) X. Ding et al.   JOURNAL OF MEDICAL MICROBIOLOGY

A Strategy for Antagonizing Quorum Sensing

(2011) Guozhou Chen et al.   MOLECULAR CELL

Crystal structure of QscR, a Pseudomonas aeruginosa quorum sensing signal receptor

(2011) M. J. Lintz et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Antibiotic resistance of bacterial biofilms

(2010) Niels Høiby et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Anti-virulence strategies to combat bacteria-mediated disease

(2010) David A. Rasko et al.   NATURE REVIEWS DRUG DISCOVERY

Inter-kingdom signaling: chemical language between bacteria and host

(2009) Alline R Pacheco et al.   CURRENT OPINION IN MICROBIOLOGY

Docking Screens: Right for the Right Reasons?

(2009) Peter Kolb et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Elucidation of the Mechanism by Which Catecholamine Stress Hormones Liberate Iron from the Innate Immune Defense Proteins Transferrin and Lactoferrin

(2009) S. M. Sandrini et al.   JOURNAL OF BACTERIOLOGY

A Quorum-Sensing Antagonist Targets Both Membrane-Bound and Cytoplasmic Receptors and Controls Bacterial Pathogenicity

(2009) Lee R. Swem et al.   MOLECULAR CELL

Development of inhibitors against TraR quorum-sensing system in Agrobacterium tumefaciens by molecular modeling of the ligand-receptor interaction

(2009) Cheoljin Kim et al.   MOLECULES AND CELLS

Upregulation of Phagocyte-Derived Catecholamines Augments the Acute Inflammatory Response

(2009) Michael A. Flierl et al.   PLoS One

Virtual screening for novel quorum sensing inhibitors to eradicate biofilm formation of Pseudomonas aeruginosa

(2008) Zhirui Zeng et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area

(2008) Paul Labute   JOURNAL OF COMPUTATIONAL CHEMISTRY

Inter-kingdom signalling: communication between bacteria and their hosts

(2008) David T. Hughes et al.   NATURE REVIEWS MICROBIOLOGY

The biology and future prospects of antivirulence therapies

(2007) Lynette Cegelski et al.   NATURE REVIEWS MICROBIOLOGY