Synthesis, Quantitative Structure and Activity Relationship, Physico-Chemical Characterisation and Analysis of Pharmacologically Active Substances

Synthesis of new compounds with potential biological activity based on modification of the natural products with potential antioxidant, antiproliferative and anti-inflammatory properties, structural, physicochemical and biological characterization. Research mechanisms, factors, molecular descriptors and QSAR and QSPR analysis, implementation of the newly synthesized compounds, ligands with an affinity to different receptor types and subtypes. A promising new pharmacokinetic model, defining specific molecular descriptors and establishing the QSAR models for prediction of hepatic, microsomal intrinsic clearance and clearance of human drugs. Bioinformatic databases and analysis of the results from proteomic and genomic experiments aim to identify new targets and to define special areas on these targets that can interact with small molecules, agonists or antagonists, or activators or inhibitors. Development and optimization of the separation methods (HPTLC-MS, HPLC, UPLC, CE, and others) to evaluate the contents and the purity of newly synthesized molecules, development of the new / improved methods for the detection and checking the stability thereof, and the analysis and structural determination of the new degradation products appearing in pharmacologically active substances as potential genotoxic impurities. Optimization methods developed for the different matrix systems using experimental design and methodology for multicriterion decisions.