In silico binding affinity analysis of microplastic compounds on PET hydrolase enzyme target of Ideonella sakaiensis

Abstract Background The world today is faced with the humongous challenge of removing numerous plastic wastes in our environment. Efforts removal or remediation these materials from ecosystem are presently at budding stage. Some researchers have shown that certain bacterial enzymes ability to hydrolyze and further degrade compounds. In this study, PET hydrolase enzyme polyvinylchloride, polyurethane, polymethyl methacrylate, polyamide, polyethylene terephthalate, polycarbonate was investigated silico. Results binding affinity values (? 5.7 kcal/mol) terephthalate 5.2 on targets were highest showed they likely be efficiently hydrolyzed by bacteria polyvinylchloride lowest 2.2 suggested it would show resistance hydrolysis enzyme. Conclusion findings study Ideonella sakaiensis could efficient composed mainly terephthalate.