Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies.

ABSTRACT: The application of computational approaches in drug discovery has been consolidated in the last decades. These families of techniques are usually grouped under the common name of "computer-aided drug design" (CADD), and they now constitute one of the pillars in the pharmaceutical discovery pipelines in many academic and industrial environments. Their implementation has been demonstrated to tremendously improve the speed of the early discovery steps, allowing for the proficient and rational choice of proper compounds for a desired therapeutic need among the extreme vastness of the drug-like chemical space. Moreover, the application of CADD approaches allows the rationalization of biochemical and interactive processes of pharmaceutical interest at the molecular level. Because of this, comput

SUBMITTER: Bassani D 

PROVIDER: S-EPMC10180087 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature