In this study we investigate receptor–ligand binding in the context of antibody–antigen binding. We established a quantitative mapping between macroscopic binding rates of a deterministic differential equation model and their microscopic equivalents as obtained from simulating the spatiotemporal binding kinetics by a stochastic agent-based model. Furthermore, various properties of B cell-derived receptors like their dimensionality of motion, morphology, and binding valency are considered and their impact on receptor–ligand binding kinetics is investigated. The different morphologies of B cell-derived receptors include simple sperical representations as well as more realistic Y-shaped morphologies. These receptors move in different dimensionalities, i.e. either as membrane-anchored receptors or as soluble antibodies. The mapping of the macroscopic and microscopic binding rates allowed us to quantitatively compare different agent-based model variants for the different types of B cell-derived receptors. Our results indicate that the dimensionality of motion governs the binding kinetics and that this predominant impact is quantitatively compensated by the bivalency of these receptors.
Model for antigen binding by B cell-derived receptors
Publications
Nasal airflow promotes default mode network activity.
Salimi M, Ayene F, Parsazadegan T, Nazari M, Jamali Y, Raoufy MR
Background and objectives Default mode network (DMN) is a principal network that is more active at the baseline functional state of consciousness and spontaneous brain activity. Nasal breathing beyond the oxygen supply, entrained brain oscillations in widespread brain regions. Consistent with the important role of nasal breathing on neural oscillation for brain function, here we […]
Targeting of phagolysosomes containing conidia of the human pathogenic fungus Aspergillus fumigatus with polymeric particles.
González K*, Gangapurwala G*, Alex J*, Vollrath A, Cseresnyés Z, Weber C, Czaplewska JA, Hoeppener S, Svensson CM, Orasch T, Heinekamp T, Guerrero-Sánchez C, Figge MT, Schubert US, Brakhage AA
Conidia of the airborne human-pathogenic fungus Aspergillus fumigatus are inhaled by humans. In the lung, they are phagocytosed by alveolar macrophages and intracellularly processed. In macrophages, however, conidia can interfere with the maturation of phagolysosomes to avoid their elimination. To investigate whether polymeric particles (PPs) can reach this intracellular pathogen in macrophages, we formulated dye-labeled […]
Analysis of HDACi-coupled Nanoparticles: Opportunities and challenges.
Kühne M, Hofmann S, Lindemann H, Cseresnyés Z, Dzierza A, Schröder D, Godmann M, Koschella A, Eggeling C, Fischer D, Figge MT, Heinze T, Heinzel T
Systemic administration of histone deacetylase inhibitors (HDACi), like valproic acid (VPA), is often associated with rapid drug metabolization and untargeted tissue distribution. This requires high-dose application that can lead to unintended side effects. Hence, drug carrier systems such as nanoparticles (NPs) are developed to circumvent these disadvantages by enhancing serum half-life as well as organ […]