Identification of New Potential Microtubule Stabilizers via Virtual Screen, Biological Evaluation, and Molecular Dynamics Simulation

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Hit20 exhibits higher antiproliferative activity against H1299 cells, with an IC50 value of 16.8 μM.
Molecular dynamics simulation revealed that tubulin-hit20 forms a stable complex, enhancing microtubule interaction.
Hit20 promotes tubulin polymerization in vitro, disrupts the microtubule network, and induces cell apoptosis.
Further evaluation is needed for hit20 as a novel antitumor agent targeting microtubules effectively.

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This study identifies new microtubule stabilizers targeting the taxane site, showing significant antiproliferative activity in H1299 cells.

Chen et al. (2025) studied this question.

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This study identifies new microtubule stabilizers targeting the taxane site, showing significant antiproliferative activity in H1299 cells.