Bioactive Molecules

We are the first company to design and develop small drug-like molecules for our clients. These new entities work under novel mechanistic pathways against biomolecular targets such as single genes or proteins. We begin the drug discovery program with the identification of a biomolecular target of potential therapeutic value through biological studies. We select hundreds of new molecules with the goal of finding clinical candidates, which typically selectively bind to the molecular target and interfere either with its activity as a receptor or enzyme. The molecules are passed through a Lipinski “Rule of Five” filter (three out of four conditions for the limiting of molecular weight, calculated lipophilicity, and the numbers of H-bond donors and acceptors), Veber filter (limiting the number of rotatable bonds and the size of polar surface area), and also for bioavailability towards GPCR ligands, ion channel modulators, kinase inhibitors, and nuclear receptor ligands. The resulting leads are optimized through molecular modeling, and finally, the selected compounds are synthesized and analyzed both in vitro and in vivo.

We also study the protein-ligand crystal structures. This crystal structure determination enables us “structure-based drug design” and the efficient optimization of leads.

We specifically design and synthesize unique molecules such as GPCR ligands, kinase inhibitors, ion-channel modulators, and caspase inhibitors. A few selected bioactive molecules are as follows.