Removal of safranin O from wastewater using Streptomyces griseobrunneus dead biomass and in silico calculations

Environmental pollution with the dye produced by the textile industry causes a serious problem worldwide. The aim of the study is to use the environmentally friendly and low-cost Streptomyces griseobrunneus (S. griseus S15) dead cells for the adsorption of safranin O from aqueous milieu. Optimum retention was achieved with 200 mg/L safranin O and 25 g/L adsorbent at pH 9. Biosorption was found to better fit the Langmuir isotherm and PSO kinetics. The maximum biosorption (q(max)) was 188.67 mg/g. The reaction between S. griseus S15 and safranin O was chemical, exothermic, and spontaneous. S. griseus S15 biomass was reusable. Molecules supposed to be involved in the process were investigated by using a Gaussian software program, calculations B3LYP, HF, and M06-2X, 6-31G, 6-31++G, and 6-31++G**. For molecular docking calculations, the affinity of safranin O molecule to various proteins was investigated. Finally, ADME/T was applied to gain an insight into the possible effects of safranin O on human health.