Molecular dynamics simulations of sulfone derivatives in complex with DNA topoisomerase IIa ATPase domain

Human topoisomerase II alpha (TopoIIα) is an enzyme involved in maintaining genomic integrity during the process of DNA replication and mitotic division. It is a vital therapeutic target for designing novel anticancer agents in targeted cancer therapy.  In the present work, a series of sulfones was selected to evaluate their inhibitory activity against TopoIIα using … Continue reading Molecular dynamics simulations of sulfone derivatives in complex with DNA topoisomerase IIa ATPase domain