Case study: Finding data for small molecule targeted therapeutics
How Reaxys and Reaxys Medicinal Chemistry support the development of drugs for challenging targets
A data-driven approach with modern cheminformatics tools is essential to success in early drug discovery. However, the success of this approach depends on high-quality, comparable data. Dr. Guozhi Tang of Ascentage Pharma discusses why his group, which is engaged in early drug discovery on challenging protein–protein interaction targets, relies on Reaxys and Reaxys Medicinal Chemistry for such data.
Dr. Tang’s group focuses on early drug discovery: from target evaluation to the nomination of preclinical drug candidates. Finding and evaluating the substances with the best potential requires clean, comparable and reliable data on physicochemical properties, metabolic stability, in vitro safety, drug likeness and efficacy. Actually creating the substances requires physicochemical and reaction data.
It’s a major challenge to gather information from multiple sources and to ensure it is comparable with their in-house data. They know that well-informed decisions only come as a result of being comprehensive in their research. Access to information is therefore very valuable.
To overcome their challenges, the team focuses on using the right resources for the right tasks — including databases of published data from patents and peer-reviewed literature, electronic lab notebooks, and compound-profiling software.
They use both Reaxys and Reaxys Medicinal Chemistry on a daily basis. Both solutions are integrated with the team’s electronic lab notebooks to make it easier to work with their own data along with the Reaxys data.
The team relies on Reaxys Medicinal Chemistry for investigating targets in terms of the chemistry space: the competitive landscape, structure–activity relationships, ADME properties, and safety profiles.
For physicochemical data, including stability and solubility, the team turns to Reaxys. They also use Reaxys for synthesis planning because of the wealth of reaction information.
The core value of Reaxys and Reaxys Medicinal Chemistry is increased productivity. Dr. Guozhi Tang, Vice President of Discovery at Ascentage Pharma Group Corporation
Dr. Tang feels the return on their investment in Reaxys has been excellent. In the company’s new R&D center, which was set up several months ago, there are about 20 chemists that have worked out 190 novel compounds already. For each compound, there are an average of 12 to 14 synthesis steps. As Dr. Tang explains,
It’s an enormous workload and having easy access to data really helps. We rely on Reaxys and Reaxys Medicinal Chemistry to support the work of our chemists, putting our trust in the quality of those solutions.
We’re happy to see the investment in Reaxys and Reaxys Medicinal Chemistry is justified. Dr. Guozhi Tang, Vice President of Discovery at Ascentage Pharma Group Corporation
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