Bioactivity of a radical scavenger bis(pyrazolium p-toluenesulphonate) on ctDNA and certain microbes: a combined experimental and theoretical analysis.

ABSTRACT: A small organic molecule, bis(pyrazolium p-toluenesulphonate) (BPPTS), was crystallized, characterized and used to scavenge free radicals in biological systems. SXRD and spectroscopic analyses were used to confirm the structure of BPPTS. Methanolic and ethanolic solutions of BPPTS were used to assess the stability of the proposed drug using the UV-vis spectrophotometric technique. Optimization of the molecular structure was carried out by DFT with B3LYP/6-311++G(d,p) level of basis set. MEP and Fukui functions that elaborate theoretically the predominant electrophilic, nucleophilic and radical sites in BPPTS were correlated with experimental biological screening. BPPTS exhibits strong activity against Bacillus subtilis and Escherichia coli, comparable with all other an

SUBMITTER: Balachandar S 

PROVIDER: S-EPMC6505382 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature