Virtual and experimental high throughput screening of substituted hydrazones on β-Tubulin polymerization.

Microtubule targeting agents that disrupt the dynamic functioning of the mitotic spindle are some of the best chemotherapeutic agents. Interruption of microtubule dynamics through polymerization or depolymerization causes cell arrest leading to apoptosis. We report a novel class of aroylhydrazones with anticancer properties.

Syntheses, quantum mechanical modeling, biomolecular interaction and in vitro anticancer - Tubulin activity of thiosemicarbazones.

A new series of thiosemicarbazones were designed and synthesized. Their structures were confirmed by spectral characterization and single crystal XRD studies. Compounds MTSC-2 and ETSC-3 crystallized in the orthorhombic crystal system with space group Pbc2 andPca2respectively.