Human Topoisomerase IIα Molecular Modeling Repository (HTopo2MMR)
Macromolecular Repository
*This is a complete repository of the macromolecular structures of human topoiosmerase IIα generated using molecular modeling techniques such as homology modeling, molecular docking and molecular dynamics. The structures are thoroughly validated using various parameters (such as model validation after homology modeling, molecular recognition interaction analysis and binding energy calculatios). The various structures along with their associated information can be retrieved by users.
Small Molecular Repository
*This is a complete repository of various small molecules, which are reported in literature to be evaluated against human topoisomerase IIα using various in vitro techniques. The current repository covers the chronological span of year 1989 to year 2014. The various molecules are collected from ChEMBL database and literature. To avoid any inadvertant error in teh structural annnotation of these molecules, a manual curation was performed. Additionaly, the information regarding their mode of hTopoIIα inhibition and binding-site in enzyme was retrieved from literature. enables you to retrieve the information about the small molecules, tested against hTopoIIα, using various in vitro assays.