title: Orientational switching of protein conformation as a function of nanoparticle curvature and their geometrical fitting.
abstract: Among the various surface properties, nanoparticle curvature has a direct effect on the inner root of protein nanoparticle interaction. However, the orientation of adsorbed proteins onto the nanoparticle surface and its binding mechanism still remains elusive because of the lack of in-depth knowledge at the molecular level. Here, we demonstrate detail molecular insights of the orientational switching of several serum proteins as a function of nanoparticle curvature using theoretical simulation along with some experimental results. With the variation of binding stability, four distinctly different classes of orientation were observed for human serum albumin, whereas only two unique classes of conformations were observed for ubiquitin, insulin, and haemoglobin. As a general observation, our data suggested that orientations were exclusively dependent on the specific protein structure and the geometrical fitting onto the nanoparticle surface.
authors.affiliation: School of Basic Sciences, Indian Institute of Technology Mandi, Mandi, Himachal Pradesh 175001, India.
authors.forename: Syamantak
authors.initials: S
authors.lastname: Khan
authors.affiliation: School of Basic Sciences, Indian Institute of Technology Mandi, Mandi, Himachal Pradesh 175001, India.
authors.forename: Abhishek
authors.initials: A
authors.lastname: Gupta
authors.affiliation: School of Basic Sciences, Indian Institute of Technology Mandi, Mandi, Himachal Pradesh 175001, India.
authors.forename: Abhishek
authors.initials: A
authors.lastname: Chaudhary
authors.affiliation: School of Basic Sciences, Indian Institute of Technology Mandi, Mandi, Himachal Pradesh 175001, India.
authors.forename: Chayan K
authors.initials: CK
authors.lastname: Nandi
mesh_terms: D006046:Gold / Q000737:chemistry*; D006801:Humans; D057446:Hydrodynamics; D053768:Metal Nanoparticles / Q000737:chemistry*; D062105:Molecular Docking Simulation; D011487:Protein Conformation; D012709:Serum Albumin / Q000737:chemistry*
chemical_list: D012709:Serum Albumin; D006046:Gold