Investigating the flexibility and stability of elastase enzyme under the influence of carbendazim using molecular simulation

Carbendazim is a benzimidazole fungicide used in agriculture. Residues of this compound are found in agricultural soils, water and agricultural products. Unfortunately, excessive use of carbendazim has caused environmental pollution all over the world. Carbendazim can harm human, animal and aquatic health through mouth, skin and breathing. The results showed that the use of this compound can cause disruption in mitotic division, endocrine and hormonal problems. A recent study used molecular simulation (MD) methods to investigate structural changes and stability of elastase enzyme in the presence and absence of carbendazim. The results showed that the structure of elastase becomes more unstable with the addition of carbendazim.

Keywords:

Carbendazim , fungicide , moleculaer simulation , unstable.