Design, synthesis, and anti-gastric cancer activity of novel 2,5-diketopiperazine

Publication date: Available online 20 August 2019Source: Journal of Molecular LiquidsAuthor(s): Sadegh Farhadian, Behzad Shareghi, Farhang Tirgir, Somayeh Reiisi, Neda Gholamian Dehkordi, Lida Momeni, Ehsan HeidariAbstractOver the past decades, anti-cancer drugs consist of cytotoxic drugs have been interested and developed. Despite the great advances in chemotherapy, there is still no certain medical treatment for cancer. During this investigation, a novel 2,5-diketopiperazine derivative 3(R),6(S)-bis (4-hydroxy phenyl)-piperazine-2,5-dione: (BHPPD) was designed, synthesized, and evaluated. The effects on intestinal protease consist of conformation, activity, and cytotoxic effect on cancer cell lines by the various methods were assessed. The binding interaction between BHPPD with α-Chymotrypsin (α-Chy) has been described utilizing many spectroscopic and computational approaches. Intrinsic fluorescence analyses exhibited static quenching as the primary quenching mod in α-Chy–BHPPD interaction, which is further confirmed by UV–vis analyses. Likewise, binding and thermodynamic constants are estimated from temperature dependent fluorescence results. Furthermore, structural alterations of the enzyme upon binding with BHPPD were presented by circular dichroism (CD) analyses. The Molecular docking assessment presented the specific binding microenvironment of BHPPD in α-Chy. Besides with this research, molecular dynamics Simulation is performed to estimate the stability of α...
Source: Journal of Molecular Liquids - Category: Molecular Biology Source Type: research