title: Studies on Bacterial Proteins Corona Interaction with Saponin Imprinted ZnO Nanohoneycombs and Their Toxic Responses.
abstract: Molecular imprinting generates robust, efficient, and highly mesoporous surfaces for biointeractions. Mechanistic interfacial interaction between the surface of core substrate and protein corona is crucial to understand the substantial microbial toxic responses at a nanoscale. In this study, we have focused on the mechanistic interactions between synthesized saponin imprinted zinc oxide nanohoneycombs (SIZnO NHs), average size 80-125 nm, surface area 20.27 m(2)/g, average pore density 0.23 pore/nm and number-average pore size 3.74 nm and proteins corona of bacteria. The produced SIZnO NHs as potential antifungal and antibacterial agents have been studied on Sclerotium rolfsii (S. rolfsii), Pythium debarynum (P. debarynum) and Escherichia coli (E. coli), Staphylococcus aureus (S. aureus), respectively. SIZnO NHs exhibited the highest antibacterial (∼50%) and antifungal (∼40%) activity against Gram-negative bacteria (E. coli) and fungus (P. debarynum), respectively at concentration of 0.1 mol. Scanning electron spectroscopy (SEM) observation showed that the ZnO NHs ruptured the cell wall of bacteria and internalized into the cell. The molecular docking studies were carried out using binding proteins present in the gram negative bacteria (lipopolysaccharide and lipocalin Blc) and gram positive bacteria (Staphylococcal Protein A, SpA). It was envisaged that the proteins present in the bacterial cell wall were found to interact and adsorb on the surface of SIZnO NHs thereby blocking the active sites of the proteins used for cell wall synthesis. The binding affinity and interaction energies were higher in the case of binding proteins present in gram negative bacteria as compared to that of gram positive bacteria. In addition, a kinetic mathematical model (KMM) was developed in MATLAB to predict the internalization in the bacterial cellular uptake of the ZnO NHs for better understanding of their controlled toxicity. The results obtained from KMM exhibited a good agreement with the experimental data. Exploration of mechanistic interactions, as well as the formation of bioconjugate of proteins and ZnO NHs would play a key role to interpret more complex biological systems in nature.
authors.affiliation: Department of Chemistry, Durban University of Technology , Durban 4000, South Africa.
authors.forename: Deepali
authors.initials: D
authors.lastname: Sharma
authors.affiliation: Biosensors and Bioelectronics Centre, IFM, Linköping University , Linköping 58183, Sweden.
authors.forename: Md
authors.initials: M
authors.lastname: Ashaduzzaman
authors.affiliation: Biosensors and Bioelectronics Centre, IFM, Linköping University , Linköping 58183, Sweden.
authors.forename: Mohsen
authors.initials: M
authors.lastname: Golabi
authors.affiliation: Department of Civil Engineering, Indian Institute of Technology Kanpur , Kanpur 208016, Uttar Pradesh, India.
authors.forename: Amritanshu
authors.initials: A
authors.lastname: Shriwastav
authors.affiliation: Department of Chemistry, Durban University of Technology , Durban 4000, South Africa.
authors.forename: Krishna
authors.initials: K
authors.lastname: Bisetty
authors.affiliation: Biosensors and Bioelectronics Centre, IFM, Linköping University , Linköping 58183, Sweden.|Tekidag AB , UCS, Teknikringen 4A, Mjärdevi Science Park, Linköping 58330, Sweden.
authors.forename: Ashutosh
authors.initials: A
authors.lastname: Tiwari
mesh_terms: D000327:Adsorption; D000890:Anti-Infective Agents / Q000737:chemistry; D001426:Bacterial Proteins / Q000737:chemistry*; D020134:Catalytic Domain; D004926:Escherichia coli / Q000187:drug effects; D054834:Lipocalins / Q000737:chemistry; D008070:Lipopolysaccharides / Q000737:chemistry; D008826:Microbial Sensitivity Tests; D008962:Models, Theoretical; D054802:Molecular Imprinting; D053758:Nanoparticles / Q000737:chemistry*; D036103:Nanotechnology / Q000379:methods; D011506:Proteins / Q000737:chemistry; D011775:Pythium / Q000187:drug effects; D012503:Saponins / Q000737:chemistry*; D013211:Staphylococcus aureus / Q000187:drug effects; D055672:Static Electricity; D013499:Surface Properties; D015034:Zinc Oxide / Q000737:chemistry*
chemical_list: D000890:Anti-Infective Agents; D001426:Bacterial Proteins; D054834:Lipocalins; D008070:Lipopolysaccharides; D011506:Proteins; D012503:Saponins; D015034:Zinc Oxide
keywords: ZnO nanohoneycombs; interaction energies; microbial toxicity; molecular docking; protein corona