Biopharmaceutical Informatics Learning to Discover Developable Biotherapeutics

Foreword
Preface
About the editors
List of contributors

1. Biopharmaceutical Informatics: An Introduction - Andrew E. Nixon and Sandeep Kumar

2. Digital transformation in the biopharmaceutical industry: rebuilding the way we discover complex therapeutics - Tonya Frolov, Leonard Wossnig, and Alexander Jung

3. Computational protein design strategies for optimization of antigen generation to drive antibody discovery - Trevor Wilkinson

4. Bioinformatic Analyses of Antibody Repertoires and Their Roles in Modern Antibody Drug Discovery - Melody Shahsavarian, Thomas Watkins, Ponraj Prabakaran, Adrian Carr, Maria Wendt, and Yu Qiu

5. Applications of Artificial Intelligence and Machine Learning Towards Antibody Discovery and Development - Anahita Rouyan, Paweł Dudzic, Wiktoria Wilman, Tadeusz Satława, Sonia Wróbel, and Konrad Krawczyk

6. From Deep Generative Models to Structure-Based Simulations: Computational Approaches for Antibody Design - Daisuke Kuroda

7. Computational biophysical analyses of antibody structure-function relationships with emphasis on therapeutic antibody-based biologics - Puneet Rawat, Eva Smorodina, Divya Sharma, R. Prabakaran, Jack Wade, Rahmad Akbar, Amrinder Singh, Sandeep Kumar, Victor Greiff, and M. Michael Gromiha

8. Use of molecular simulations to understand structural dynamics of antibodies - Daniel A. Nissley, Matthew I. J. Raybould, Charlotte M. Deane, and Sandeep Kumar

9. Considerations of developability during the early stages of antibody drug discovery and design - Maximiliano Vásquez, Bianka Prinz, Eric Krauland, and Tushar Jain

10. In Silico Approaches to Deliver Better Antibodies by Design – The Past, the Present and the Future - Andreas Evers, Shipra Malhotra, and Vanita D. Sood

11. Use of systems biology approaches towards target discovery, validation, and drug development - Madhuresh Sumit and Venkata Gayatri Dhara

12. Recent advances in PK/PD and Quantitative Systems Pharmacology (QSP) models for biopharmaceuticals - Hardik Mody, Venkata Krishna Kowthavarapu, and Alison Betts

13. The Artificial Intelligence Revolution: Transforming the Design and Optimization of Multispecific Antibodies - Per Jr. Greisen, Ziwei Pang, and Fernando Garces

Index.

Biography

Dr. Sandeep Kumar is currently a Distinguished Fellow (Executive Director) at the department of Computational Science in Moderna Therapeutics, Cambridge, MA where he leads Molecular Design and Modeling team. Sandeep Kumar holds a Ph.D. in Computational Biophysics and has over 25 years of experience researching protein structure – Function relationships. Sandeep Kumar has so far contributed towards more than 100 research articles, reviews, book chapters, and has previously edited a book entitled “Developability of Biotherapeutics: Computational Approaches”. Sandeep has been contributing towards discovery and development of numerous monoclonal antibodies, antibody drug conjugates, bispecific and multi-specific modalities, as well as vaccines. Based on the insights gained from these experiences, Sandeep has been advocating for Biopharmaceutical Informatics, a strategic vision dedicated to synergistic use of computation and experimentation towards a cost effective and more efficient discovery and development of Biotherapeutics. More recently, he is promoting the concept of DAbI (Discovery of Antibodies in silico) where he sees an opportunity for generative AI to not only accelerate biopharmaceutical drug design but also to expand the antigen space druggable by antibody-based biotherapeutics.

Dr. Andrew Nixon is currently Vice President, Biotherapeutics Molecule Discovery at Boehringer Ingelheim Pharmaceuticals, Inc., Ridgefield, CT, USA. Andy earned his Ph.D. in Physical Biochemistry from the University of London for studies completed at the MRC’s National Institute for Medical Research. Andy has over 20 years of experience in biologic drug discovery and has contributed to over 100 antibody discovery programs resulting in numerous clinical candidates and approved biologics including TAKHZYRO, a fully human antibody inhibitor of plasma kallikrein.