Structural insights into fungal and human topoisomerase II with implications for in silico antifungal drug design.

ABSTRACT: Topoisomerases are essential enzymes regulating DNA supercoiling and disentanglement, critical for genomic integrity. While topoisomerase inhibitors are well-established in anticancer and antibacterial chemotherapy, their potential as antifungal agents remains underexplored or even not proofed. This study investigates structural distinctions between Saccharomyces cerevisiae topoisomerase II (ScTopoII) and human topoisomerase IIα (hTopoIIα), aiming to identify if ScTopoII can be a selective target for antifungal drug development. A comprehensive sequence analysis, extending to various fungal strains and evolutionary ancient organisms, reveals dissimilarities in the transducer and transducer linker domains of these proteins, as well as in the lysine-rich K-loop region. Molecular dynamics sim

SUBMITTER: Sappati S 

PROVIDER: S-EPMC11923201 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature