Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00001
Juhi Shah, Sanjay Singh
The recent thrust towards the production of novel nanomaterials has led to a realization of the limitless potential of these materials in myriad biomedical applications. In order to achieve the desired utility, these materials are expected to be exposed to a biological milieu where they would interact with suspended proteins and possibly develop a protein corona. Therefore, it remains to be seen whether the desired physico–chemical properties of nanomaterials are intact after protein corona formation. Therefore, this chapter has been developed to provide readers with comprehensive information about the introduction of protein coronas, characterization techniques, factors affecting protein corona formation, and potential roles to achieve the desired biological applications and toxicity of the nanomaterial studied.
{"title":"CHAPTER 1. Nanoparticle–Protein Corona Complex: Composition, Kinetics, Physico–Chemical Characterization, and Impact on Biomedical Applications","authors":"Juhi Shah, Sanjay Singh","doi":"10.1039/9781788016308-00001","DOIUrl":"https://doi.org/10.1039/9781788016308-00001","url":null,"abstract":"The recent thrust towards the production of novel nanomaterials has led to a realization of the limitless potential of these materials in myriad biomedical applications. In order to achieve the desired utility, these materials are expected to be exposed to a biological milieu where they would interact with suspended proteins and possibly develop a protein corona. Therefore, it remains to be seen whether the desired physico–chemical properties of nanomaterials are intact after protein corona formation. Therefore, this chapter has been developed to provide readers with comprehensive information about the introduction of protein coronas, characterization techniques, factors affecting protein corona formation, and potential roles to achieve the desired biological applications and toxicity of the nanomaterial studied.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"5 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130443236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00080
Divyang S. Panchal, Ruchit A. Patel, Manthan Siddheshwari, Efftesum Rahaman, Vaishwik Patel, A. Karakoti
Interaction of nanoparticles with aqueous biological systems results in the formation of a shell structure around the nanoparticles – a phenomenon widely known as protein corona formation. The interaction of nanoparticles with proteins present in the biological medium can result in several physical and chemical changes which are significantly influenced by the composition of that medium and the nanoparticles chemistry. Focusing on multiple advanced analytical techniques like dynamic light scattering (DLS), nuclear magnetic resonance (NMR), isothermal titration calorimetry (ITC) and mass spectrometry (MS), this chapter explores the dynamics of such nanoparticle–protein corona (NP–PC) interactions, revealing information about corona formation as well as its composition. The NP–PC complexes are distinguished based on various parameters that are thought to govern the time-dependent evolution of the protein corona. This chapter also briefly describes various methods and instrumentation techniques that are currently used to characterize NP–PC complex. It emphasizes that the physiological responses of nanoparticles to a biological system may alter due to the modification of nanoparticles into NP–PC complexes and must be characterized before they can be placed in real applications.
{"title":"CHAPTER 4. NP–Protein Corona Interaction: Characterization Methods and Analysis","authors":"Divyang S. Panchal, Ruchit A. Patel, Manthan Siddheshwari, Efftesum Rahaman, Vaishwik Patel, A. Karakoti","doi":"10.1039/9781788016308-00080","DOIUrl":"https://doi.org/10.1039/9781788016308-00080","url":null,"abstract":"Interaction of nanoparticles with aqueous biological systems results in the formation of a shell structure around the nanoparticles – a phenomenon widely known as protein corona formation. The interaction of nanoparticles with proteins present in the biological medium can result in several physical and chemical changes which are significantly influenced by the composition of that medium and the nanoparticles chemistry. Focusing on multiple advanced analytical techniques like dynamic light scattering (DLS), nuclear magnetic resonance (NMR), isothermal titration calorimetry (ITC) and mass spectrometry (MS), this chapter explores the dynamics of such nanoparticle–protein corona (NP–PC) interactions, revealing information about corona formation as well as its composition. The NP–PC complexes are distinguished based on various parameters that are thought to govern the time-dependent evolution of the protein corona. This chapter also briefly describes various methods and instrumentation techniques that are currently used to characterize NP–PC complex. It emphasizes that the physiological responses of nanoparticles to a biological system may alter due to the modification of nanoparticles into NP–PC complexes and must be characterized before they can be placed in real applications.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121094541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00132
Paula Raijiwala, A. Pandya, R. Shukla
Nanoparticles possess size-dependent chemical and physical characteristics that enable interesting and correlated approaches for dealing with fundamental biological molecules. Despite the significant development of nanoscience, interactions of nanoscale objects with living systems is less known. When a nanoparticle (NP) encounters a biological fluid, biomolecules spontaneously form adsorption layers around the NP, called a “protein corona” (PC). The corona's composition depends on the time-dependent environmental conditions, which determines the NP's fate within living organisms. The PC consists of two poorly delimited layers, known as the “hard corona” (HC) and “soft corona” (SC), which is affected by the complexity of the environment and the protein–surface equilibrium formed during in vivo blood circulation. This chapter is focused on the investigation of the corona formation of adsorbed proteins around nanoparticles depending on the type of characterization technique. Protein corona–NP complexes are further characterized by integrating information on morphology and also on the structure/composition of the PC. Thus, multi-disciplinary approaches are highlighted in order to obtain much more information about the PC and its properties to fully understand the real impact of the PC on nanoparticles' surface and their various therapeutics applications.
{"title":"CHAPTER 5. An Analytical Approach to Investigate Nanoparticle–Protein Corona Complexes","authors":"Paula Raijiwala, A. Pandya, R. Shukla","doi":"10.1039/9781788016308-00132","DOIUrl":"https://doi.org/10.1039/9781788016308-00132","url":null,"abstract":"Nanoparticles possess size-dependent chemical and physical characteristics that enable interesting and correlated approaches for dealing with fundamental biological molecules. Despite the significant development of nanoscience, interactions of nanoscale objects with living systems is less known. When a nanoparticle (NP) encounters a biological fluid, biomolecules spontaneously form adsorption layers around the NP, called a “protein corona” (PC). The corona's composition depends on the time-dependent environmental conditions, which determines the NP's fate within living organisms. The PC consists of two poorly delimited layers, known as the “hard corona” (HC) and “soft corona” (SC), which is affected by the complexity of the environment and the protein–surface equilibrium formed during in vivo blood circulation. This chapter is focused on the investigation of the corona formation of adsorbed proteins around nanoparticles depending on the type of characterization technique. Protein corona–NP complexes are further characterized by integrating information on morphology and also on the structure/composition of the PC. Thus, multi-disciplinary approaches are highlighted in order to obtain much more information about the PC and its properties to fully understand the real impact of the PC on nanoparticles' surface and their various therapeutics applications.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128992727","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00204
C. Globisch, Marc Isele, C. Peter, Alok Jain
Molecular dynamics (MD) simulations can show structural and dynamic details on an atomistic level in a native-like environment. Conventional atomistic MD simulations have been successfully applied to many problems, however, they often do not cover the necessary timescales to sufficiently explore conformational phase and reach convergence. In this study, we discuss two examples where we have employed atomistic simulations followed by either Hamiltonian replica exchange molecular dynamics (H-REMD) or coarse-grained (CG) simulations to identify the intrinsic details of nanostructure formation processes and the influence of various factors on them. We demonstrate that combining computational approaches or resolution levels is very useful to overcome the limitations of a single method, like pure atomistic simulations, while still keeping its advantages. However, it is very important to carefully select suitable methods, parameters and approaches to get meaningful results with sufficient accuracy.
{"title":"CHAPTER 8. In Silico Approaches to Design and Characterize Peptide-based Nanostructures","authors":"C. Globisch, Marc Isele, C. Peter, Alok Jain","doi":"10.1039/9781788016308-00204","DOIUrl":"https://doi.org/10.1039/9781788016308-00204","url":null,"abstract":"Molecular dynamics (MD) simulations can show structural and dynamic details on an atomistic level in a native-like environment. Conventional atomistic MD simulations have been successfully applied to many problems, however, they often do not cover the necessary timescales to sufficiently explore conformational phase and reach convergence. In this study, we discuss two examples where we have employed atomistic simulations followed by either Hamiltonian replica exchange molecular dynamics (H-REMD) or coarse-grained (CG) simulations to identify the intrinsic details of nanostructure formation processes and the influence of various factors on them. We demonstrate that combining computational approaches or resolution levels is very useful to overcome the limitations of a single method, like pure atomistic simulations, while still keeping its advantages. However, it is very important to carefully select suitable methods, parameters and approaches to get meaningful results with sufficient accuracy.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"14 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123867745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00031
V. Forest
Upon contact with biological media, biomolecules adsorb onto a nanoparticle's surface forming a layer mainly composed of proteins, the so-called protein corona. The composition of this protein corona is unique for each nanoparticle and influenced by many parameters such as the nanoparticle's physicochemical properties and biological environmental factors. This dynamic structure constitutes the new interface with biological systems and consequently has a deep impact on the nanoparticle's biological fate and response. The parameters involved in the formation of this protein corona as well as the biological consequences of its presence on the nanoparticle's surface are the focus of this chapter.
{"title":"CHAPTER 2. Biological Significance of the Nanoparticles Protein Corona","authors":"V. Forest","doi":"10.1039/9781788016308-00031","DOIUrl":"https://doi.org/10.1039/9781788016308-00031","url":null,"abstract":"Upon contact with biological media, biomolecules adsorb onto a nanoparticle's surface forming a layer mainly composed of proteins, the so-called protein corona. The composition of this protein corona is unique for each nanoparticle and influenced by many parameters such as the nanoparticle's physicochemical properties and biological environmental factors. This dynamic structure constitutes the new interface with biological systems and consequently has a deep impact on the nanoparticle's biological fate and response. The parameters involved in the formation of this protein corona as well as the biological consequences of its presence on the nanoparticle's surface are the focus of this chapter.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"64 35","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114005408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00163
Kavita Dubey, Onila Lugun, A. Pandey
Protein coronas on nanoparticles not only bring a wide range of applications, but also show various limitations. When nanoparticles come into contact with biological fluids, a range of biomolecules, including lipids and proteins, adsorb on the surfaces of the nanoparticles and form protein coronas. Thus, in this chapter, we will review various factors involved in the interactions of nanoparticles and protein coronas, and the pros and cons of these interactions in reference to biological impacts and assays.
{"title":"CHAPTER 6. Impact of Nanoparticle–Protein Interactions on Biological Assays","authors":"Kavita Dubey, Onila Lugun, A. Pandey","doi":"10.1039/9781788016308-00163","DOIUrl":"https://doi.org/10.1039/9781788016308-00163","url":null,"abstract":"Protein coronas on nanoparticles not only bring a wide range of applications, but also show various limitations. When nanoparticles come into contact with biological fluids, a range of biomolecules, including lipids and proteins, adsorb on the surfaces of the nanoparticles and form protein coronas. Thus, in this chapter, we will review various factors involved in the interactions of nanoparticles and protein coronas, and the pros and cons of these interactions in reference to biological impacts and assays.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"352 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124031400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00227
Priti Singh, Sunil Kumar Singh
Within the short span of a decade, nanotechnology has gained tremendous recognition in diagnostic and therapeutic applications owing to its unique physiochemical properties. Whenever nanomaterials (NMs) are intravenously injected inside the biological system, NMs encounter the complex physiological environment of blood. Blood is a connective tissue consisting of blood cells, plasma proteins and lipoproteins, and a coagulation system that maintains the haemostasis of the body. NMs can interact with blood constituents and trigger patho-physiological events such as complement activation and thrombosis. Therefore, in this chapter, the roles of blood constituents in a biological system and interactions between NMs and blood components is critically reviewed. The shape, size, functionalisation and surface charge of NMs may be deciding factors for their adverse toxic effects. A critical analysis of nanomaterial–blood interactions will help with designing engineered NMs and manipulating their properties for impeccable applications in nanomedicine.
{"title":"CHAPTER 9. Nanomaterial–Blood Interactions: A Biomedical Perspective","authors":"Priti Singh, Sunil Kumar Singh","doi":"10.1039/9781788016308-00227","DOIUrl":"https://doi.org/10.1039/9781788016308-00227","url":null,"abstract":"Within the short span of a decade, nanotechnology has gained tremendous recognition in diagnostic and therapeutic applications owing to its unique physiochemical properties. Whenever nanomaterials (NMs) are intravenously injected inside the biological system, NMs encounter the complex physiological environment of blood. Blood is a connective tissue consisting of blood cells, plasma proteins and lipoproteins, and a coagulation system that maintains the haemostasis of the body. NMs can interact with blood constituents and trigger patho-physiological events such as complement activation and thrombosis. Therefore, in this chapter, the roles of blood constituents in a biological system and interactions between NMs and blood components is critically reviewed. The shape, size, functionalisation and surface charge of NMs may be deciding factors for their adverse toxic effects. A critical analysis of nanomaterial–blood interactions will help with designing engineered NMs and manipulating their properties for impeccable applications in nanomedicine.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"4 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116264935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00265
Sruthi Ann Alex, Debolina Chakraborty, N. Chandrasekaran, A. Mukherjee
Protein coronas can introduce new unexpected applications and shortcomings for the biomedical application of nanoparticles. For instance, it is now well recognized that the protein coating reduces the targeting capability of surface-engineered nanoparticles by screening the active sites of the targeting ligands. On the contrary, the unique features presented by protein coronas can be exploited in the design of the nanomaterial, rather than combat their adsorption. Therefore, in this chapter, the advantages and disadvantages of protein–nanoparticle interactions with their corresponding biological impact have been discussed. In addition, a broad overview of the available data of both in vitro and in vivo protein–nanoparticle interactions is provided. Uncontrolled protein coronation can pave the way for cytotoxicity, a reduced blood circulation half-life, and minimized targeting efficiency. However, a comprehensive understanding and design of suitable nanomaterials with varied functional proteins can allow selective protein coronation, which can help to tailor their therapeutic properties for nano-drug delivery vehicles.
{"title":"CHAPTER 10. The Protein Corona: Applications and Challenges","authors":"Sruthi Ann Alex, Debolina Chakraborty, N. Chandrasekaran, A. Mukherjee","doi":"10.1039/9781788016308-00265","DOIUrl":"https://doi.org/10.1039/9781788016308-00265","url":null,"abstract":"Protein coronas can introduce new unexpected applications and shortcomings for the biomedical application of nanoparticles. For instance, it is now well recognized that the protein coating reduces the targeting capability of surface-engineered nanoparticles by screening the active sites of the targeting ligands. On the contrary, the unique features presented by protein coronas can be exploited in the design of the nanomaterial, rather than combat their adsorption. Therefore, in this chapter, the advantages and disadvantages of protein–nanoparticle interactions with their corresponding biological impact have been discussed. In addition, a broad overview of the available data of both in vitro and in vivo protein–nanoparticle interactions is provided. Uncontrolled protein coronation can pave the way for cytotoxicity, a reduced blood circulation half-life, and minimized targeting efficiency. However, a comprehensive understanding and design of suitable nanomaterials with varied functional proteins can allow selective protein coronation, which can help to tailor their therapeutic properties for nano-drug delivery vehicles.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"114 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115083067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00061
P. Patel, Ashutosh Kumar
Nanoparticles have numerous biomedical applications including drug delivery, therapies, bone implants, disease dignosis and imaging. Therefore, the interaction between the nanoparticles and biological systems becomes vital to understand, for their safe and effective applications. A protein corona is formed when proteins existing in biological systems cover a nanoparticle's surface. The alteration of size and interfacial composition of nanoparticles results in new biological characteristics and influences the circulation lifetime, accumulation, toxicity, cellular uptake and agglomeration, depending on the composition of the nanoparticle protein corona. This chapter presents comprehensive information about the various factors affecting the nanoparticle–protein interaction including the physicochemical properties of the nanoparticles (size, shape, surface charge, surface functional group, hydrophilicity/hydrophobicity), the nature of the biological medium and the exposure time and the temperature. Understanding these factors will allow us to design safe nano-constructs for biomedical applications.
{"title":"CHAPTER 3. Factors Affecting a Nanoparticle's Protein Corona Formation","authors":"P. Patel, Ashutosh Kumar","doi":"10.1039/9781788016308-00061","DOIUrl":"https://doi.org/10.1039/9781788016308-00061","url":null,"abstract":"Nanoparticles have numerous biomedical applications including drug delivery, therapies, bone implants, disease dignosis and imaging. Therefore, the interaction between the nanoparticles and biological systems becomes vital to understand, for their safe and effective applications. A protein corona is formed when proteins existing in biological systems cover a nanoparticle's surface. The alteration of size and interfacial composition of nanoparticles results in new biological characteristics and influences the circulation lifetime, accumulation, toxicity, cellular uptake and agglomeration, depending on the composition of the nanoparticle protein corona. This chapter presents comprehensive information about the various factors affecting the nanoparticle–protein interaction including the physicochemical properties of the nanoparticles (size, shape, surface charge, surface functional group, hydrophilicity/hydrophobicity), the nature of the biological medium and the exposure time and the temperature. Understanding these factors will allow us to design safe nano-constructs for biomedical applications.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"210 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123018687","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2019-07-26DOI: 10.1039/9781788016308-00191
Lokesh Baweja
Nanoparticles (NPs) have emerged as promising candidates for biomedical applications and are often engineered with specific surface chemistries. Upon exposure to a biological system, NPs tend to adsorb biomolecules depending on their size, shape and surface chemistry. Proteins adsorbed around NPs in a layered fashion are termed “protein coronas”. Understanding NP-protein complex formation will be useful in designing nanomedicines and predicting the adverse effects of NPs. Several studies have been focussed on understanding the mechanism of formation of protein coronas around NPs. Computer simulations have been extensively used to understand the adsorption and NP-induced changes in the conformation of biomolecules, which is considered as an initial step in corona formation. With recent advances in computational methods and the ability to simulate large biomolecular systems, molecular dynamics (MD)-based simulations could be an interesting alternative along with experimental studies to understand NP-protein corona formation at the atomic scale. In this chapter, we have summarised computer-simulation-based studies on NP-biomolecule corona formation. The current literature suggests that further advances in coarse-grained approaches will be required to predict NP-biomolecule corona formation, which may be helpful in “safe by design” nanotherapeutics.
{"title":"CHAPTER 7. Computer Simulations for Understanding Nanoparticle-biomolecule Corona Formation","authors":"Lokesh Baweja","doi":"10.1039/9781788016308-00191","DOIUrl":"https://doi.org/10.1039/9781788016308-00191","url":null,"abstract":"Nanoparticles (NPs) have emerged as promising candidates for biomedical applications and are often engineered with specific surface chemistries. Upon exposure to a biological system, NPs tend to adsorb biomolecules depending on their size, shape and surface chemistry. Proteins adsorbed around NPs in a layered fashion are termed “protein coronas”. Understanding NP-protein complex formation will be useful in designing nanomedicines and predicting the adverse effects of NPs. Several studies have been focussed on understanding the mechanism of formation of protein coronas around NPs. Computer simulations have been extensively used to understand the adsorption and NP-induced changes in the conformation of biomolecules, which is considered as an initial step in corona formation. With recent advances in computational methods and the ability to simulate large biomolecular systems, molecular dynamics (MD)-based simulations could be an interesting alternative along with experimental studies to understand NP-protein corona formation at the atomic scale. In this chapter, we have summarised computer-simulation-based studies on NP-biomolecule corona formation. The current literature suggests that further advances in coarse-grained approaches will be required to predict NP-biomolecule corona formation, which may be helpful in “safe by design” nanotherapeutics.","PeriodicalId":263032,"journal":{"name":"Nanoparticle–Protein Corona","volume":"29 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125635809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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