Transform Molecular Medicinal Research with AI

Maintaining good health through medication and remedies has been a goal since the beginning of human existence. However, the traditional drug discovery process is time-consuming and resource-intensive. Fortunately, with the help of AI, researchers can now rapidly sift through massive chemical libraries, identifying potential drug candidates with higher efficacy and minimal side effects. This acceleration is particularly important in times when agility in drug development can have a significant impact on global health. The field of medicine is being revolutionized by AI, allowing for the customization and development of medicines in a shorter time frame. This blog discusses the transformation of molecular medicinal research with AI and how Cadence OpenEye Scientific is contributing to this revolution. And, no, we're not talking about immortality! (pun intended)

AI for Molecular Medicinal Research

The demand for computational drug design is increasing due to technological advancements and the need for new drugs. The global biosimulation market, which has an estimated Total Addressable Market (TAM) of $2 billion, is growing at a Compound Annual Growth Rate (CAGR) of approximately 15% over the next five years, driven by the growing use of computational techniques in drug discovery for pharmacology, chemical synthesis, and drug screening to study the 3D structure of molecules. The field of molecular medicine research is rapidly evolving, and Artificial Intelligence (AI) is playing a crucial role in driving innovation. The integration of AI is transforming the field of molecular medicine research, enabling scientists to analyze vast datasets, simulate complex molecular interactions, and predict potential drug candidates with remarkable precision. AI has emerged as a game-changer in molecular medicinal research, enhancing the accuracy and efficiency of protein-ligand interactions and molecular dynamics simulations. Molecular structures are complex puzzles, and decoding them is a monumental task. However, with the help of AI, Cadence OpenEye Products stand tall, revolutionizing the landscape of drug discovery and molecular research. Let's embark on a fascinating journey into the realm where AI meets molecular medicine, unlocking new frontiers in healthcare.

Courtesy: Frontiers of Molecular Medicine

Cadence and Molecular Science

Cadence continues executing its Intelligent System Design strategy and has successfully leveraged its computational software expertise to expand into the system analysis space to address the electromagnetics, thermal, and computational fluid dynamics (CFD) challenges in the high-tech electronics, aerospace and defense, and automotive sectors. Cadence is extending computational software core competency to molecular modeling and simulation targeted to life sciences. Like customized silicon chips, the era of one-size-fits-all medicine is evolving into a personalized approach. OpenEye CMS software tools take a wide range of approaches to both finding molecules suitable for a drug discovery project and calculating important properties of those molecules in a robust, scalable, and physically relevant way. OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and technology and design services across the drug discovery process. Its physics-and AI-based modeling and cheminformatics computational software is an early-stage enabler of drug discovery innovation. Pfizer Inc. recently signed an agreement to extend and expand access to Cadence products and programming toolkits for advanced molecular design.

“Cadence’s molecular design technology continues to be an important resource to help us progress our early scientific discovery efforts across our therapeutic portfolio.”

Sergio Rotstein, Vice President, Digital R&D Solutions, Pfizer

Cadence OpenEye solutions leverage Cadence’s computational software expertise in molecular modeling and simulation, focused on pharmaceutical and biotechnology drug discovery. Its scientific approach has focused on visualizing and analyzing the shape and electrostatics of molecular 3D structures to inform and guide the advancement of pharmaceuticals and biotechnology. The software is marking a paradigm shift in healthcare and is used by major pharmaceutical and biotech companies worldwide and offers many benefits such as

• Accelerate and advance therapeutic research.
• Enhances treatment effectiveness and minimizes adverse reactions.
• Fosters collaboration among researchers, breaking down silos and facilitating the exchange of knowledge and insights.
• The intuitive interfaces and user-friendly features make these tools accessible to a wide range of professionals, from seasoned researchers to newcomers in the field.

OpenEye recently integrated its applications and toolkits into Orion, the only cloud-native, fully integrated molecular design platform. Combining unlimited computation and storage with powerful tools for data sharing, visualization, and analysis in an open development platform, Orion offers unprecedented drug discovery and optimization capabilities.

Conclusion

The combination of AI and molecular research has the potential to deliver groundbreaking discoveries, novel treatments, and significant advancements in global healthcare. Applying AI in medicinal research has resulted in faster product development and a higher probability of positive outcomes. Cadence OpenEye Products’ integration of AI technology is a transformative leap forward in the dynamic field of molecular medicinal research. The advanced technology and innovative solutions offered by this approach hasten drug discovery and usher in an era of personalized medicine. As we navigate uncharted territories in healthcare, AI is at the forefront of medicinal research, shaping a promising future through molecular structures.

Learn More

• Cadence Expands Pfizer’s License to Molecular Design Software
• Cadence Molecular Sciences (OpenEye) and its technologies