Tubulin Inhibitors: A Chemoinformatic Analysis Using Cell-Based Data.

ABSTRACT: Inhibiting the tubulin-microtubules (Tub-Mts) system is a classic and rational approach for treating different types of cancers. A large amount of data on inhibitors in the clinic supports Tub-Mts as a validated target. However, most of the inhibitors reported thus far have been developed around common chemical scaffolds covering a narrow region of the chemical space with limited innovation. This manuscript aims to discuss the first activity landscape and scaffold content analysis of an assembled and curated cell-based database of 851 Tub-Mts inhibitors with reported activity against five cancer cell lines and the Tub-Mts system. The structure-bioactivity relationships of the Tub-Mts system inhibitors were further explored using constellations plots. This recently developed methodology ena

SUBMITTER: Lopez-Lopez E 

PROVIDER: S-EPMC8123128 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature