[Design and Functionalization of Molecules Towards Drug Discovery].

We performed the design, synthesis and evaluation of ligands of nuclear receptors [vitamin D receptor (VDR), retinoid receptor and a VDR mutant], stapled short helical peptides as VDR-coactivator interaction inhibitors, and estrogen receptor degradation inducers based on a protein knockdown strategy and selective estrogen receptor down-regulators. We also demonstrated the design and functionalization of helical peptides, and performed conformational analysis of peptides, as well as an in silico study on the prediction of bioactivity for the regulation of new designer drugs.