The pathological role of CXC chemokine receptor type 4 (CXCR4) in colorectal cancer (CRC) progression; special focus on molecular mechanisms and possible …

A Hjazi, F Nasir, R Noor, A Alsalamy… - … -Research and Practice, 2023 - Elsevier
Colorectal cancer (CRC) is comprised of transformed cells and non-malignant cells
including cancer-associated fibroblasts (CAF), endothelial vasculature cells, and tumor …

Pathological progression of osteoarthritis: a perspective on subchondral bone

X Li, W Chen, D Liu, P Chen, S Wang, F Li, Q Chen… - Frontiers of …, 2024 - Springer
Osteoarthritis (OA) is a degenerative bone disease associated with aging. The rising global
aging population has led to a surge in OA cases, thereby imposing a significant …

Structural basis of the binding mode of the antineoplastic compound motixafortide (BL-8040) in the CXCR4 chemokine receptor

M Rebolledo-Bustillo, D Garcia-Gomez… - International Journal of …, 2023 - mdpi.com
Modulation of the CXCL12–CXCR4 signaling axis is of the utmost importance due to its
central involvement in several pathological disorders, including inflammatory diseases and …

Biased activation mechanism induced by GPCR heterodimerization: Observations from μoR/δOR dimers

X Chen, Y Yuan, Y Chen, J Yu, J Wang… - Journal of Chemical …, 2022 - ACS Publications
GPCRs regulate multiple intracellular signaling cascades. Biasedly activating one signaling
pathway over the others provides additional clinical utility to optimize GPCR-based …

Computational investigation of functional water molecules in GPCRs bound to G protein or arrestin

J Hu, X Sun, Z Kang, J Cheng - Journal of Computer-Aided Molecular …, 2023 - Springer
G protein-coupled receptors (GPCRs) are membrane proteins constituting the largest family
of drug targets. The activated GPCR binds either the heterotrimeric G proteins or arrestin …

Comparison, Analysis, and Molecular Dynamics Simulations of Structures of a Viral Protein Modeled Using Various Computational Tools

H Mani, CC Chang, HJ Hsu, CH Yang, JH Yen… - Bioengineering, 2023 - mdpi.com
The structural analysis of proteins is a major domain of biomedical research. Such analysis
requires resolved three-dimensional structures of proteins. Advancements in computer …

Identifying and Assessing Putative Allosteric Sites and Modulators for CXCR4 Predicted through Network Modeling and Site Identification by Ligand Competitive …

T Inan, R Flinko, GK Lewis… - The Journal of …, 2024 - ACS Publications
The chemokine receptor CXCR4 is a critical target for the treatment of several cancer types
and HIV-1 infections. While orthosteric and allosteric modulators have been developed …

Computer-aided discovery, design, and investigation of COVID-19 therapeutics

CC Chang, HJ Hsu, TY Wu, JW Liou - Tzu Chi Medical Journal, 2022 - journals.lww.com
Abstract Coronavirus disease 2019 (COVID-19) pandemic is currently the most serious
public health threat faced by mankind. Thus, the severe acute respiratory syndrome …

Unveiling G-protein coupled receptors as potential targets for ovarian cancer nanomedicines: from RNA sequencing data analysis to in vitro validation

R Khetan, P Eldi, NA Lokman, C Ricciardelli… - Journal of Ovarian …, 2024 - Springer
Genetic heterogeneity in ovarian cancer indicates the need for personalised treatment
approaches. Currently, very few G-protein coupled receptors (GPCRs) have been …

Functional activity of peptide ion channels in tethered bilayer lipid membranes

R Guidelli, L Becucci - Electrochemical Science Advances, 2022 - Wiley Online Library
Ion transport across biomembranes plays a major role in living cells. This fundamental
function is normally carried out by molecules with both a hydrophobic and a hydrophilic side …