Docking and molecular dynamic simulations of Mithramycin-A and Tolfenamic acid against Sp1 and survivin.

ABSTRACT: Therapeutic targeting of Sp1 transcription factor and survivin, are studied in various cancers due to their consistent overexpression. These markers result in poorer cancer prognoses and their downregulation has been investigated as an effective treatment approach. Mithramycin-A and Tolfenamic acid are two drugs with innate anti-cancer properties and are suggested to be able to target Sp1 through GC/GT DNA binding interference, however in-depth binding and mechanistic studies are lacking. Through docking analysis, we investigated Mithramycin-A and Tolfenamic acid in terms of their specific binding interactions with Sp1 and survivin. Through further molecular dynamics simulations including Root Mean Square (RMS) Fluctuation and RMS Deviation, rGYr, and H-bond analysis, we identified critica

SUBMITTER: Lambring CB 

PROVIDER: S-EPMC11192519 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature