Lead optimization

Lead optimization is a complex multiple-property optimization process and only high-quality leads could realistically be developed into drugs. Proper lead generation will set the stage for the more resource-demanding lead-optimization phase of efficacy and safety evaluation in different animal models.

We perform a sophisticated medicinal chemistry lead generation and optimization to improve efficacy and ADMET properties of our lead compounds.

The major cause of compound failure in drug development is poor pharmacokinetic profile so nowadays the use of in silico ADME filters has become general tool in drug design. We use this kind of prefiltering of the ‘to be synthesized’ compounds as part of our predictive QSPAR modeling approach.

For the lead optimization process we developed novel and optimized synthetic procedures for large series of core structures (like quinazolines, quinoxalines, oxindoles, pyrido-pyrimidines, pyrazolo-pyrimidines, pyrrolo-pyrimidines, amino-pyrimidines, maleimides, benzo-thiophenes, naphtyridines, etc.) We have established more than 110 core and more than 500 scaffold chemistry and have more tha 10,000 synthetic protocols in hand including stereospecific and stereoselective reactions of heterocycles, regioselective reactions, special coupling reactions, multistep traditional synthesis, reaction in inert atmosphere and microwave assisted reactions.