Antiviral potential of diminazene aceturate against SARS-CoV-2 proteases using computational and in vitro approaches.

Diminazene aceturate (DIZE), an antiparasitic, is an ACE2 activator, and studies show that activators of this enzyme may be beneficial for COVID-19, disease caused by SARS-CoV-2. Thus, the objective was to evaluate the in silico and in vitro affinity of diminazene aceturate against molecular targets of SARS-CoV-2. 3D structures from DIZE and the proteases from SARS-CoV-2, obtained through the Protein Data Bank and Drug Database (Drubank), and processed in computer programs like AutodockTools, LigPlot, Pymol for molecular docking and visualization and GROMACS was used to perform molecular dynamics.

Ramping up a heuristic procedure for storage location assignment problem with precedence constraints.

The retail industry is becoming increasingly competitive; as a result, companies are seeking to reduce inefficiencies in their supply chains. One way of increasing the efficiency of operations inside a warehouse is by better allocating products in the available spaces. In this paper, we propose a new heuristic approach to solving the storage location assignment problem (SLAP) considering precedence constraints, in multi-aisle, multi-product picking warehouses.