1. Proceedings
  2. I3M
  3. 2020
  4. MAS
  5. 10.46354/i3m.2020.mas.019

User as a bitter tastant: immersive experience within the binding region of a bitter taste receptor

  • a Tommy Dang , 
  • b Anuththara Lokubandara ,
  • c Ngan N.V. Nguyen ,
  • d Peter C. Lai ,
  • e Vinh T. Nguyen ,
  • f Chiquito Crasto
  • a,c,e Computer Science Department, Texas Tech University, 2500 Broadway, Lubbock, TX 79409, USA
  • b,f  Center for Biotechnology and Genomics, Texas Tech University, 2500 Broadway, Lubbock, TX 79409, USA
  • d Pratt and Whitney, Middletown, CT, 06457, USA
Cite as
Dang T., Lokubandara A., Nguyen N.N.V., Lai P.C., Nguyen V.T., Crasto C. (2020). User as a bitter tastant: immersive experience within the binding region of a bitter taste receptor. Proceedings of the 19th International Conference on Modeling & Applied Simulation (MAS 2020), pp. 146-153. DOI: https://doi.org/10.46354/i3m.2020.mas.019

Abstract

This paper describes the development of a Virtual Reality (VR) system to obtain mechanistic insights into receptor-ligand interactions from the perspective of a bitter taste. The system allows a human-user to ""become"" the tastant-ligand and interact with the bitter taste receptor in its binding region. Computational models of 15 bitter taste receptors were developed. Each model provides a comprehensive view of the varied structural and functional features of the bitter taste receptor. The user can obtain a view of the receptor protein model at a) the atomic level; b) the secondary structure; and, c) the surface. The system can be accessed by using a VR headset as well as through touch controllers. Users can navigate among and compare 3D models of the selected receptors, while also experiencing environmental feedback. The implications of such a study are critical to the field of drug-design in the clinical-pharmaceutical industry. Five domain-expert scientists and clinicians evaluated the usability of the VR system. Our work also represents an important educational tool.

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