Computational drug design using AI and machine learning to accelerate drug discovery phase
Objectifs du projet:
We aim at targeting a key protein that is involved in the initiation and progression of tumor growth and to develop a therapeutic small molecule that can inhibit this target protein.
The objectives in this project can be summarized as follows:
- Validation of the protein target
- Generation of multiple 3D conformations of the protein target
- AI empowered in silico screening of millions of potential inhibitors
- In silico optimization of target inhibitors
- Activity screening of potential inhibitors
- Direct binding study of hit molecules
- In silico hit-to-lead optimization
- IP filing of findings
- In vivo testing of most active leads in a solid tumor cancer model: proof of principle
After the filing of IP, project partners will decide whether to offer the IP for outlicensing or further developing the asset in house (depending on availability of funding). Both options are interesting.
Mon besoin:
Hillmark does not own their own wetlabs to test for biological activity and would like to interact with a laboratory experienced in the performance of biological assays, preferably cell-based assays and preferably in the field of cell biology/oncology/immunology.
The availability of infrastructure for physicochemical measurement and/or organic synthesis capacity would further support the project, although this can also be obtained from CRO’s or through research agreement with an academic entity.
Quels sont les autres partenaires impliqués dans le projet?
We have established contacts with researchers-clinicians at the Netherlands Cancer Institute (NKI, Amsterdam) who have shown their interest and willingness to collaborate once lead compounds have been identified.
Qui commercialisera les résultats du projet d’innovation ?
Depending on the efforts taken by each of the partners, the IP will be jointly owned and offered through the Brightlands channels and personal networks to its contacts for potential outlicensing. Alternatively, depending on the availability of grants or investments, Hillmark can bring the finding to a clinical phase IIa/IIb stage, after which the asset is transferred to a larger pharmaceutical company.