Schrödinger: Transforming drug discovery with high performance computing in the cloud

Summary

In this video, experts Karen Akinsanya and Ramy Farid discuss how Schrodinger is revolutionizing drug discovery by leveraging high-performance computing and cloud resources. Traditional drug development often involves trial and error, but Schrodinger's approach accelerates the process, enabling scientists to conduct more simulations and fewer lab experiments. With the help of Google Cloud, the company has reduced drug discovery timelines from five years to just 2-2.5 years, improving the efficiency and precision of drug development while minimizing side effects.

Takeaways

• 😀 Drug discovery is essential to address the tremendous burden of human diseases.
• 😀 Traditional drug discovery often relies on trial and error methods.
• 😀 Schrodinger is revolutionizing drug discovery by leveraging computer-based experiments to complement lab work.
• 😀 High-performance computing has enabled scaling up simulations to identify the optimal molecules for specific diseases.
• 😀 The vastness of chemical space makes it impossible to manually explore all possible molecules, requiring massive computational power.
• 😀 Google Cloud's partnership with Schrodinger accelerates preclinical drug discovery, reducing timelines from 5 years to 2-2.5 years.
• 😀 Cloud computing significantly reduces the cost of drug discovery processes.
• 😀 Advanced simulations help design molecules with reduced activity on off-targets, minimizing side effects.
• 😀 The ability to simulate and predict drug behavior is opening up possibilities for medicines previously thought to be impossible.
• 😀 The integration of cloud computing in drug discovery is pushing the boundaries of what can be achieved in terms of speed and precision.

Q & A

What is the main challenge in traditional drug discovery?

Traditional drug discovery is largely driven by trial and error, which can be a lengthy and inefficient process.

How is Schrodinger transforming the drug discovery process?

Schrodinger is revolutionizing drug discovery by leveraging high-performance computing, allowing scientists to perform more experiments virtually on computers and fewer in physical labs.

What role does high-performance computing play in drug discovery?

High-performance computing enables scientists to scale up their calculations and simulations, helping them identify the right molecules for specific diseases with greater efficiency.

Why is chemical space considered almost infinite in drug discovery?

Chemical space is vast because there are an immense number of possible molecules that could interact with different proteins, making it impossible to explore them all without significant computational resources.

How does cloud computing assist in drug discovery?

Cloud computing provides access to massive computational resources, allowing scientists to explore a larger number of molecules faster, which is crucial for advancing drug discovery.

What impact has the partnership with Google Cloud had on drug discovery?

The partnership with Google Cloud has greatly accelerated preclinical drug discovery, reducing the timeline from about five years to just two to two and a half years and lowering costs.

How has the use of cloud resources impacted drug discovery costs?

By significantly reducing the time needed for drug discovery, the use of cloud resources has also led to a substantial reduction in costs associated with the process.

What are 'off targets' in drug discovery, and how does Schrodinger address them?

Off targets are unintended molecules or proteins that a drug may interact with, often leading to side effects. Schrodinger’s technology helps design molecules that minimize activity on these off targets, reducing side effects.

What is the significance of being able to design molecules with minimal off-target activity?

Designing molecules with minimal off-target activity is crucial for developing drugs with fewer side effects, leading to safer and more effective treatments.

What future possibilities does Schrodinger’s approach to drug discovery enable?

Schrodinger’s approach allows for the development of medicines that were previously considered impossible, enabling breakthroughs in treatments that were once only dreamed of.