Virtual screening tool for biological profiling

Activity, synergy and selectivity are crucial parameters in the discovery of active molecules. In silico technologies such as our virtual screening tool Selnergy can accelerate this process by focusing on putative active and selective molecules for a biological property. Virtual screening is therefore an efficient decision making tool for selecting hits to develop. Furthermore, Selnergy can help in the identification of new applications for known compounds by providing a list of protein partners for studied ligands.

Questions answered by virtual screening and Selnergy: Is there a natural molecule having similar activity to a particular synthetic compound? I have a target (eg enzyme, receptor…), what molecules can modulate it? I have a molecule, what can be its (other) applications? What patentable analogues of a particular molecule X?

Greenpharma virtual screening platform consists in: Greenpharma Database (GPDB) contains 320,000 natural compounds and 38 million molecules from ambinter.com database. GPDB also contains 10,000 protein structures annotated with their source, therapeutic domain and protein family. GPDB also includes chemosensory receptors. SELNERGY, our in-house biological profiling tool. It is a useful tool to explore interactions between chemical and biological components eg chemogenomics.

Before doing in vitro or in vivo evaluations, test your hypothesis in silico and focus your resources on candidates that are most likely to succeed!