Elucidating Biofilm Formation and Dispersion on Polymer Surfaces
Through Molecular Dynamics Simulation
Priyadharshini Suresh1, Kishore Velusamy1, Karthikraja Sakthivel1, Shailesh Gandhi1,
Ram Kothandan1*
1
Department of Biotechnology, Kumaraguru College of Technology, Coimbatore, India,
641049
*
Presenting author: Priyadharshini Suresh
Corresponding author: [Link]@[Link]
ABSTRACT
Persistent use of plastic resulting in the formation of a synthetic ecosystem called the
Plastisphere, poses a threat to environmental-risk and eco-toxicity. Plastics particularly
microplastics harbour the biofilm-forming protein and exponentially induce the adsorption of
pollutants. Understanding the molecular mechanisms behind the interaction between the
biofilm-forming proteins (OmpT and Bap1) from Vibrio cholerae and microplastics through
molecular dynamics simulations would help in understanding their role in pollutant
adsorption, microbial colonization, and potential ecological impacts. This study aims to
elucidate these interactions to inform mitigation strategies addressing microplastic-associated
environmental toxicity in both aquatic and terrestrial ecosystems. Binding analysis revealed
that the Leu219 residue, along with the adjacent Asp220 and Val221 residues, constitutes a
primary binding site for Bap1, in-addition, the Loop 8 region of OmpT serves as a secondary
interaction site for microplastics. Computational assessments of binding affinity and residual
analysis confirms that Bap1 enhances the stability of OmpT on polymeric surfaces when the
microplastic engages the LDV region, thereby promoting adhesion. Furthermore, a
substantial structural transition of OmpT was observed upon interaction with microplastics at
the Loop 8 region. These findings provide a mechanistic understanding of biofilm formation
on synthetic surfaces and highlight potential strategies for disrupting biofilm stability, thereby
mitigating the pathogenic risks associated with plastic pollution.
Keywords: Biofilm, Microplastic, Matrix protein, Outer membrane protein, Plastisphere