Case Studies


The following case studies demonstrate examples of what StarDrop is capable of. If you'd like to know more or arrange an on-site demonstration, contact us for more details.

Structural development of a hA2AAr antagonist considering ADME profiles

There is a growing interest in hA2AAr as a drug target as hA2AAr antagonists can potentially be developed for the treatment of neurodegenerative disorders such as Parkinson's disease. A number of hA2AAr antagonists have recently been reported by research groups, and with the availability of X-ray crystal structures it is now possible to better understand their SAR. Hence, this report explores the possibility of developing the strucuture of a known hA2AAr antagonist by considering ADME Scoring Profiles using StarDrop. Read more about this work from Dr Okamoto Masako at Mitsubishi Tanabe Pharma Corporation...

Fast-follower - Improving metabolic stability

This project's goal was to employ a 'fast-follower' strategy to improve on a competitor compound that had problems with poor oral bioavailability and short and variable half-life in man. These issues were caused by rapid metabolism by Cytochrome P450 CYP3A4; in agreement with StarDrop's identification of highly labile sites and a high predicted logP. The final compound had to be suitable for oral dosing and the target was in the CNS. Read more about how StarDrop's P450 models helped this project...

Focusing resources in hit-to-lead

Having screened over 3,000 compounds from a virtual library of more than 13,000, our client was faced with multiple hits across 13 different chemistries. The team needed to decide where best to focus their efforts at the synthesis stage in order to make the most of their resources - which StarDrop enabled them to do. Read more about how StarDrop guided this process...

In silico guided hit-to-candidate

An ambitious client was planning to identify a novel drug candidate for a cardiac target and progress it to Phase I clinical trials within two and a half years. StarDrop was used to analyse initial hits against the target so the chemistry program could focus on a limited number of compounds with a high chance of success, leading to a clinical candidate. Read more...

Rapid focus in lead optimisation

Our client was working to identify a therapy for a CNS target, but hadn't been able to find one with the right combination of oral bioavailability and CNS penetration. Using their project data, we were able to demonstrate how StarDrop could help them identify compounds at an earlier stage, saving time and money. Read more about how StarDrop guided the project towards new chemistries...

Balancing properties in lead optimisation

Initial selection of possible candidates from a set of 150 compounds had been based on potency and selectivity - but had ignored potential solubility and metabolic stability problems. With disappointing bioavailability from in vivo studies, our client asked us to use their data to provide a more balanced set of compounds for progression from their candidates. Read more...

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