Peptides derived from CXCL8 based on in silico analysis inhibit CXCL8 interactions with its receptor CXCR1

Rational design of a peptide capture agent for CXCL8 based on a model of the CXCL8:CXCR1 complex

(2015) Dorothea Helmer et al.   RSC Advances

In Silico Analysis Reveals Sequential Interactions and Protein Conformational Changes during the Binding of Chemokine CXCL-8 to Its Receptor CXCR1

(2014) Je-Wen Liou et al.   PLoS One

Identification of a Novel Drug Lead That Inhibits HCV Infection and Cell-to-Cell Transmission by Targeting the HCV E2 Glycoprotein

(2014) Reem R. Al Olaby et al.   PLoS One

The dynamics of interleukin-8 and its interaction with human CXC receptor I peptide

(2014) Agnieszka A. Kendrick et al.   PROTEIN SCIENCE

Solution NMR characterization of WTCXCL8 monomer and dimer binding to CXCR1 N-terminal domain

(2014) Prem Raj B. Joseph et al.   PROTEIN SCIENCE

Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approaches

(2013) Lei Xu et al.   Molecular BioSystems

Severe Sepsis and Septic Shock

(2013) Derek C. Angus et al.   NEW ENGLAND JOURNAL OF MEDICINE

Function, diversity and therapeutic potential of the N-terminal domain of human chemokine receptors

(2012) Martyna Szpakowska et al.   BIOCHEMICAL PHARMACOLOGY

Synergistic Interactions between Chemokine Receptor Elements in Recognition of Interleukin-8 by Soluble Receptor Mimics

(2012) Emily F. Barter et al.   BIOCHEMISTRY

Hepatitis E vaccine debuts

(2012) Soo Bin Park   NATURE

Exploring PHD Fingers and H3K4me0 Interactions with Molecular Dynamics Simulations and Binding Free Energy Calculations: AIRE-PHD1, a Comparative Study

(2012) Dimitrios Spiliotopoulos et al.   PLoS One

Chemokine oligomerization and interactions with receptors and glycosaminoglycans: The role of structural dynamics in function

(2011) C.L. Salanga et al.   EXPERIMENTAL CELL RESEARCH

Interactions of Interleukin-8 with the Human Chemokine Receptor CXCR1 in Phospholipid Bilayers by NMR Spectroscopy

(2011) Sang Ho Park et al.   JOURNAL OF MOLECULAR BIOLOGY

Targeting CXCR1/CXCR2 receptor antagonism in malignant melanoma

(2010) Bhawna Sharma et al.   EXPERT OPINION ON THERAPEUTIC TARGETS

Probing the Role of CXC Motif in Chemokine CXCL8 for High Affinity Binding and Activation of CXCR1 and CXCR2 Receptors

(2010) Prem Raj B. Joseph et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

CXCR1 blockade selectively targets human breast cancer stem cells in vitro and in xenografts

(2010) Christophe Ginestier et al.   JOURNAL OF CLINICAL INVESTIGATION

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

(2010) Tingjun Hou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Neutralizing endogenous chemokines with small molecules

(2010) Jean-Luc Galzi et al.   PHARMACOLOGY & THERAPEUTICS

Structural Basis for Differential Binding of the Interleukin-8 Monomer and Dimer to the CXCR1 N-Domain: Role of Coupled Interactions and Dynamics

(2009) Aishwarya Ravindran et al.   BIOCHEMISTRY

Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

(2009) Scott P. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Protein structure prediction on the Web: a case study using the Phyre server

(2009) Lawrence A Kelley et al.   Nature Protocols

Chemokine receptor-derived peptides as multi-target drug leads for the treatment of inflammatory diseases

(2009) C. Ezerzer et al.   PEPTIDES

Identification of a Putative Intracellular Allosteric Antagonist Binding-Site in the CXC Chemokine Receptors 1 and 2

(2008) D. J. Nicholls et al.   MOLECULAR PHARMACOLOGY

Computational studies of CXCR1, the receptor of IL-8/CXCL8, using molecular dynamics and electrostatics

(2007) Nicholas Huynh et al.   BIOPOLYMERS