Homology Modeling and Molecular Docking Studies of DNA Replication Licensing Factor Minichromosome Maintenance Protein 5 (MCM5)

Minichromosome maintenance proteins (MCM2-7) form the important part of the DNA replication initiation system. The MCM proteins contribute to restricting the initiation of DNA replication to once per cycle. A heteromeric complex is formed by binding of these six proteins with each other. The aim of this work was to prepare the homologous model of MCM5 protein and perform the docking studies. In this work, a theoretical model of MCM5 protein was generated using the concepts of homology modeling and loop modeling. The resulting model was validated by Procheck with Ramachandran plot analysis. The ligands generated with the help of Drug bank and ZINC data base were docked against MCM5 protein using DockThor portal. The study revealed that the compound acetonyl-cycloheptylcyclohexyl- BLAHtrione (ZINC15861168) has the maximum probability to bind with MCM5. Thus, the usage of this compound can lead to inhibition of the protein MCM5 which will act as a blockade in the formation of heteromeric complex of MCM2-7 proteins thereby assisting in the treatment of multiple myeloma and other cancer cells.