Dataset on anti-human insulin-degrading enzyme activities of cyclic tetra peptides: Insight from insilico approach.

In this work, the biochemical activities of seven cyclic peptides were investigated using the approach. The materials used in this work were Spartan 14 for quantum chemical analysis, molecular operating environment software for molecular docking and ADMETSAR 2.0 for pharmacokinetic investigation.

evaluation on potential inhibitors data: DFT and molecular modelling approaches.

Nine heterocyclic compounds were investigated using density functional theory, molecular operating environment software, material studio, swissparam (Swiss drug design) software. In this work, the descriptors generated from the optimized compounds proved to be efficient and explain the level of reactivity of the investigated compound. The developed quantitative structure activity relationship (QSAR) model was predictive and reliable.