About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bio-Nano Interfaces and Engineering Applications
|
| Presentation Title |
In silico evaluation of materials for eliciting cellular responses |
| Author(s) |
Dinesh Katti, Hanmant Gaikwad, Preetham Ravi, Kalpana Katti |
| On-Site Speaker (Planned) |
Dinesh Katti |
| Abstract Scope |
Integrin proteins act as mechanotransducers, establishing mechanical reciprocity between the extracellular matrix (ECM) and cells at adhesion sites. They are crucial for cell-ECM adhesion and signaling. Understanding integrin activation and cellular adhesion to engineered surfaces is vital for developing new biomaterials for tissue engineering. We conducted steered molecular dynamics (SMD) simulations to investigate the activation and adhesion of integrin αvβ3 bound to various mineral and polymer surfaces. Concurrently, 2D and 3D experiments were used to evaluate integrin activation. An AFM-based device with confocal imaging was used to assess cellular adhesion to different materials. Extensive experiments evaluated gene and protein expressions using PCR and confocal imaging. This work presents an in silico platform for screening materials that elicit desirable cellular responses, such as cell differentiation, thereby aiding in the design of effective biomaterials via simulations. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Biomaterials, Computational Materials Science & Engineering, Modeling and Simulation |