Computational Approaches to the Rational Design of Tubulin-Targeting Agents.

ABSTRACT: Microtubules are highly dynamic polymers of α,β-tubulin dimers which play an essential role in numerous cellular processes such as cell proliferation and intracellular transport, making them an attractive target for cancer and neurodegeneration research. To date, a large number of known tubulin binders were derived from natural products, while only one was developed by rational structure-based drug design. Several of these tubulin binders show promising in vitro profiles while presenting unacceptable off-target effects when tested in patients. Therefore, there is a continuing demand for the discovery of safer and more efficient tubulin-targeting agents. Since tubulin structural data is readily available, the employment of computer-aided design techniques can be a key element to focus on th

SUBMITTER: Perez-Pena H 

PROVIDER: S-EPMC9952983 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature