Our Philosophy
Whether it deals with life sciences, materials, or other areas of high impact, molecular discovery remains a long and tedious process. In practice, developing a new anticancer drug, a new catalyst for asymmetric transformations or a new methodology for "green" synthesis takes years. Our approach is to integrate advanced organic synthesis, computational chemistry, and biological testing to significantly improve the molecular discovery rate.
Areas of Interest
Organic Chemistry, Medicinal Chemistry, and Asymmetric Synthesis
Design, synthesis, and evaluation of potential drugs targeting SARS-CoV-2 - relevant publications here
Design, synthesis, and evaluation of potential drugs with a focus on Alzheimer's disease and cancer - relevant publications here
Development of novel methodologies for the synthesis of chiral cyclic and bicyclic scaffolds - relevant publications here
Directing Protecting Groups: a novel concept for green and regioselective transformations of amines and alcohols - relevant publications here
Design, synthesis and evaluation of asymmetric catalysts - relevant publications here
Computational Chemistry
Development of Fitted - a docking program used for predicting drug binding mode and potency - relevant publications here
Development of Impacts - predicting the sites of metabolism of drugs by Cytochrome P450 enzymes - relevant publications here
Development of Forecaster - drug discovery at a click of a button - relevant publications here
Development of Virtual Chemist - a virtual screening tool in the field of asymmetric catalyst design - relevant publications here
Development of H-TEQ - a novel method of obtaining parameters for molecular mechanics calculations - relevant publications here
Nucleoside modeling for streamlining the synthesis of nucleoside-based drugs - relevant publications here
Integrated Experimental and Computational Chemistry
Computer-aided design and synthesis of biologically relevant compounds
Computer-aided design and synthesis of novel asymmetric catalysts
Funding Agencies and Partners
