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Modeling an Enzyme Active Site using Molecular Visualization Freeware

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Published on: December 25, 2021

Teaching biologics design using molecular modeling and simulations.

Andrew Phillips¹, Anusha Srinivas¹, Ilina Prentoska¹

¹Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, New Jersey, USA.

Biochemistry and Molecular Biology Education : a Bimonthly Publication of the International Union of Biochemistry and Molecular Biology

|January 10, 2024

Summary

This study introduces a novel course structure for teaching biopharmaceutical development, focusing on monoclonal antibody (mAb) design and stabilization using computational methods. The curriculum aims to equip students with essential skills for pharmaceutical development and biologics design.

Keywords:

biologics computers in research and teaching curriculum development excipients monoclonal antibodies protein design

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Area of Science:

Biopharmaceutical Development
Computational Chemistry
Drug Design

Background:

Biologics design, particularly for monoclonal antibodies (mAbs), is crucial in pharmaceutical development but presents formulation challenges like aggregation and viscosity.
Molecular modeling and simulations offer a powerful approach to investigate mAb-excipient interactions and enhance drug product stability.

Purpose of the Study:

To develop and present a replicable course structure for teaching biopharmaceutical development to undergraduate students.
To introduce students to the complexities of biologics design, focusing on monoclonal antibodies (mAbs) and their formulation challenges.

Main Methods:

A semester-long course was designed for eight undergraduate students with limited prior experience in the field.
Students were exposed to relevant scientific literature and utilized software tools for modeling antibodies and their interactions with excipients.
The course integrated theoretical knowledge with practical computational skills for studying biologics design.

Main Results:

Students gained foundational knowledge in pharmaceutical development challenges and computational techniques applicable to biologics.
The curriculum successfully introduced students to the principles of modeling monoclonal antibodies (mAbs) and analyzing excipient interactions.

Conclusions:

The developed course structure provides a framework for effectively teaching biopharmaceutical development and computational skills.
This educational model can be adopted by other institutions to train future scientists in the critical area of biologics design.