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Hit-To-Lead
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Delivering candidates for in vivo evaluation Cheminformatics
Our SLF-Libmaker proprietary cheminformatics platform is a powerful tool for speeding up the lead optimisation process, in combination with docking and pharmacophore-based approaches. We can design a combinatorial virtual library using the scaffold of interest, linkers and functional groups. The library's compounds are then docked onto the target of interest to obtain hits with the best potential activity. After post-processing and filtering parameters processes, the end result is a good virtual hit ranking for assisting the medicinal chemist.
Medicinal chemistry
In each project, computational scientists, biologists and chemists work together to choose the best building blocks, particularly for synthetic accessibility and SAR studies. Our medicinal chemists are experienced in generating SARs and optimising ADMET properties on the basis of primary and secondary screening results.
Exploratory in vitro ADMET
Our exploratory in vitro ADMET capabilities allow us to perform on-site permeability assays (PAMPA), metabolic and plasmatic stability on human and murin microsomes, CYP450 inhibition and cytotoxicity tests (MTT, ATP and LDH release tests). All chemistry, computational approach, screening and ADMET data and results are discussed by our project team and made available to our customers. The aim is to turn validated hits into candidates to in vivo evaluation.
Iterative screening
At this stage, being a one-stop-shop company adds significant value because the lead optimisation process involves iterative cycles for incremental optimization. The main advantages of our one-stop-shop service are to have access to all the experimental data, to be able to refocus the synthesis program and then to make the best decision for the lead optimisation process in accordance with our customers' specifications. |
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