Proteomics in computer-aided drug design

Today, In principle, the drug discovery process involves three pre-clinical stages before clinical trials, namely target selection, lead identification, and clinical candidate selection. Upon this basis, Due to rapid advances in structural biology and computer technology, A new design is introduced, i.e. A structure-based computer-aided drug design which Abbreviated with CADD using docking techniques, virtual screening and library design, along with target/structure focusing combinatorial chemistry, has become a powerful tool in the multi-step process of drug discovery. In this approach, we’ve pointedout that comparative proteomics can be used to determine the propensity for a new compound,and this work has been feasible By establishing a database that defines the response of a tissue proteome to specific stimulator. As an emerging technology, CADD accelerates drug development by making use of the accumulated information of existing drugs and diseases, combined with inter-disciplinary inputs from other fields. Computational proteomics refers to the large-scale generation and analysis of 3D protein structural information [69]. In addition, In this approach,we’ve pointedout that comparative proteomics can be used to determine the propensity for a new compound,and this work has been feasible By establishing a database that defines the response of a tissue proteome to specific stimulator. Proteomics has been introduced as a powerful approach for directly identifying highly predictive pharmacogenomic markers in blood or tissues.

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CADD-proteomic-computer-technology