Cellular metabolism hijacked by viruses for immunoevasion: potential antiviral targets

J Li, Y Wang, H Deng, S Li, HJ Qiu - Frontiers in Immunology, 2023 - frontiersin.org
Cellular metabolism plays a central role in the regulation of both innate and adaptive
immunity. Immune cells utilize metabolic pathways to modulate the cellular differentiation or …

Exploring Druggable Binding Sites on the Class A GPCRs Using the Residue Interaction Network and Site Identification by Ligand Competitive Saturation

T Inan, M Yuce, AD MacKerell Jr, O Kurkcuoglu - ACS omega, 2024 - ACS Publications
G protein-coupled receptors (GPCRs) play a central role in cellular signaling and are linked
to many diseases. Accordingly, computational methods to explore potential allosteric sites …

Identification of defactinib derivatives targeting focal adhesion kinase using ensemble docking, molecular dynamics simulations and binding free energy calculations

C Guo, Q Li, J Xiao, F Ma, X Xia… - Journal of Biomolecular …, 2023 - Taylor & Francis
Focal adhesion kinase (FAK) belongs to the nonreceptor tyrosine kinases, which selectively
phosphorylate tyrosine residues on substrate proteins. FAK is associated with bladder …

A computational workflow to determine drug candidates alternative to aminoglycosides targeting the decoding center of E. coli ribosome

M Yuce, B Ates, NI Yasar, FA Sungur… - Journal of Molecular …, 2024 - Elsevier
The global antibiotic resistance problem necessitates fast and effective approaches to
finding novel inhibitors to treat bacterial infections. In this study, we propose a computational …