In silico computation of coagulation factor II: a potential water treatment agent against gram negative bacteria

Abstract

Water, as one of the main sources of life, is an important aspect to public health and safety. Up until now there have been many concerns about water pollution especially in developing countries. Heavy polluted water that is not treated well could cause many concerning diseases that can lead to deaths. Contaminants that are of chemical, physical, and biological origins are commonly found in these water sources. Gram negative bacteria (GNB) have been seen to develop multiple drug and antibiotic resistance, causing more fatal infections. This has become a major concern of public health especially as it makes water treatment more challenging. Our study investigates human coagulation factor II that is responsible for blood clotting as a possible method for water treatment against GNB. By investigating the coagulation protein interaction with several bacterial lipopolysaccharides proteins and calculating the binding affinity of the interaction, the results show factor II has a lower binding affinity compared to previously studied factor VII. This shows possibilities of factor II to hydrolyse several gram-negative bacteria to act as a potential treatment against these GNBs.