Job Demands, Job Resources, and Well-being in Police Officers - a Resource-Oriented Approach

This study examined the association between job characteristics, namely job demands and job resources, and mental health outcomes in terms of emotional exhaustion and well-being among police officers. Eight hundred forty-three German police officers participated in a cross-sectional online survey. Structural equation modeling was used to examine the validity of the dual process model of the Job Demands-Resources (JD-R) framework in the context of police work. Job demands (verbal assaults by citizens, workload, and administrative stressors) predicted emotional exhaustion whereas job resources (team support, shared values, and perceived fairness) predicted well-being. Moreover, job resources were directly and negatively associated with emotional exhaustion. The findings confirm the capacity of job resources to simultaneously promote well-being and reduce emotional exhaustion. Work place interventions should thus not merely decrease job demands. To improve and protect police officers’ well-being, it is advisable to promote job resources. A supportive and fair organizational climate based on shared values is required to foster mental health in the context of police work

Ligand Photo-Isomerization Triggers Conformational Changes in iGluR2 Ligand Binding Domain

Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs). We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching

Molecular Dynamics Investigation of gluazo, a Photo-Switchable Ligand for the Glutamate Receptor GluK2

Photochromic ligands (PCLs), defined as photoswitchable molecules that are able to endow native receptors with a sensitivity towards light, have become a promising photo-pharmacological tool for various applications in biology. In general, PCLs consist of a ligand of the target receptor covalently linked to an azobenzene, which can be reversibly switched between two configurations upon light illumination. Gluazo, as a PCL that targets excitatory amino acid receptors, in its dark-adapted trans iso-form was characterized to be a partial agonist of the kainate glutamate receptor GluK2. Application of UV light leads to the formation of the cis form, with remarkedly reduced affinity towards GluK2. The mechanism of the change of ligand affinity induced by the photoisomerization was unresolved. The presented computational study explains how the somerization of such a PCL affects the structural changes in the target receptor that lead to its activation