Computational insights into polymer excipient selection for amorphous solid dispersions
As drug candidates trend towards higher lipophilicity and lower water solubility, amorphous solid dispersions (ASDs) are growing in popularity as a formulation platform. Although heuristics exist which help to identify effective delivery methods and choice of accompanying excipients, the novelty of each new drug frequently comes with unexpected formulation challenges.
In this webinar, we will highlight how molecular models can aid our ability to screen through standard polymer excipients for target lists to push into lab testing. Additionally, we will discuss how these solutions can be executed by modelers or experimentalists alike using the Schrödinger Materials Science software suite.
Webinar Highlights:
- Introduction to Schrödinger’s Materials Science software suite and services for drug formulation
- Review of solutions for rank ordering drug interactions with standard ASD polymers like hydroxypropyl methylcellulose acetate succinate (HPMCAS) and copovidone
- Detailed analysis of drug-excipients associations for identifying drivers of favorable ASD formation
Our Speakers
Andrea Browning
Senior Director for Polymers, Schrödinger
Dr. Andrea Browning, Senior Director for Polymers, is responsible for leading efforts related to polymeric materials simulation at Schrödinger. Prior to joining Schrödinger in 2017, she was a lead research engineer and project manager at The Boeing Company. She brings over a decade of experience in connecting industrial, engineering problems to root materials issues, and use of simulations to inform industrial decisions. She was a NSF Graduate Research Fellow at the University of California, Santa Barbara and received her Doctorate in Chemical Engineering from that institution.
Shiva Sekharan
Senior Director, Formulations Business Development, Schrödinger
Shiva Sekharan, Ph.D., is the Senior Director of Formulations Business Development at Schrödinger and is responsible for driving the business development efforts in the formulations space. Shiva is an experienced business development executive in the CRO and AI-based services and software solutions industry and has several years of experience in managing business accounts, customer relationships, and expectations with clients in the pharmaceutical, agrichemical, and academic industries across the US, Europe, and Asia territories. His expertise lies in identifying new business opportunities among existing customers, devising sales and collaboration strategies for customer expansion, and ensuring top-tier services, products, and knowledge-driven solutions are available 24/7 to customers across the globe. Before joining Schrödinger in 2023, Shiva held a BD role at XtalPi Inc., where he led the US solid-state services unit, worked with departmental heads to establish effective goals, sales targets, outline procedures and best practices, and provide strategic directions to increase revenue. Shiva earned his Ph.D. in Theoretical Chemistry from the University of Duisburg-Essen, Germany, followed by postdoctoral stints at the Max-Planck Institute for Polymer Science, Emory University, Fukui Institute for Fundamental Chemistry, and Yale University. Shiva is an accomplished computational chemist, with strong research expertise in the areas of quantum chemistry and drug discovery (>40 publications, >1100 citations, H-index = 20).