1st Edition

Biopharmaceutical Informatics Learning to Discover Developable Biotherapeutics

Edited By Sandeep Kumar, Andrew Nixon Copyright 2025
    400 Pages 36 Color & 24 B/W Illustrations
    by CRC Press

    Biopharmaceutical Informatics is a strategic vision that encourages scientists to learn from our collective experiences of successes and, more importantly, failures in discovery and development of biotherapeutics. The insights gained from such learnings shall help us improve rate of successful translation of discoveries into drug products; reduce costs and increase the speed of biologic drug discovery and development. Hopefully, the efficiencies gained from implementing such insights shall make biologic medicines more affordable for the patients.

    • This unique volume describes ways to invent and commercialize biomedicines in a more time and cost-efficient manner.
    • Details the use of bioinformatics tools in fields such as excipient design, formulation design, process development and PK-PD.
    • Describes applications of artificial Intelligence and machine learning towards antibody discovery, development, and manufacturing.
    • Presents PK/PD and Quantitative Systems Pharmacology (QSP) models for biopharmaceuticals.
    • The lead editor, Dr Sandeep Kumar, has edited a collection of articles dedicated to this topic which can be found in the Taylor and Francis journal mAbs.

    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 a Distinguished Research Fellow (DRF) at the department of Biotherapeutics Discovery in Boehringer Ingelheim Pharmaceuticals, Inc., Ridgefield, CT, USA. Sandeep Kumar holds a Ph.D. in Computational Biophysics and has over 20 years of experience researching protein structure – Function relationships using the computational means. Sandeep Kumar has so far contributed towards approximately 100 research articles, reviews, book chapters, and edited a book. He has also contributed towards development of several antibody-body based biotherapeutics and a vaccine currently in the market. After joining Boehringer-Ingelheim in 2018, Sandeep has been contributing towards discovery of several monoclonal antibodies as well as multi-specific modalities that are currently in development. 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.

    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.