Molecular scale study on the interactions of biocompatible nanoparticles with macrophage membrane and blood proteins. Issue 8 (6th May 2022)

• Record Type: Journal Article
• Authors: Khedri, Mohammad; Afsharchi, Fatemeh; Souderjani, Amirhosein Hasanpour; Rezvantalab, Sima; Didandeh, Mohsen; Maleki, Reza; Musaie, Kiyan; Santos, Hélder A.; Shahbazi, Mohammad‐Ali
• Is Part Of: Nano select. Volume 3:Issue 8(2022)
• Page Start: 1252
• Page End: 1263
• Publication Date: 2022-05-06
• Subjects: acetalated dextran -- macrophage -- molecular dynamics -- pH‐sensitive release -- protein corona; Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.5
• DOI: 10.1002/nano.202200043
• Languages: English
• ISSNs: 2688-4011

Abstract

Abstract: Macrophage targeting and researches centered on immunological responses have received interest thanks to studies unveiling the significant role of macrophages in inflammatory diseases and cancer. In this regard, we have selected four types of nanoparticles (NPs), including acetalated dextran‐based nano‐carrier functionalized with atrial natriuretic peptide and linTT1(AcDEX‐PEG‐TT1‐ANP), PEGylated acetalated dextran (AcDEX‐PEG), acetalated dextran (AcDEX), and hyaluronic acid (HA) to investigate their interactions with macrophage membrane. Using microsecond coarse‐grained molecular dynamics (MD) simulations, we studied the interactions between the NPs and the macrophage membrane and subsequent immunological reactions that occur after the penetration of the NPs within the macrophage cell. Different parameters that determine the strength and amount of macrophage membrane interaction were measured and compared for all four types of NPs. The results showed that AcDEX‐PEG‐TT1‐ANP has the most favorable interaction with the macrophage membrane while HA has the least favorable results by comparison. Moreover, drug encapsulation and release in different pH conditions showed the pH‐responsivity of the considered NPs for drug delivery in acidic environments. On the other hand, evaluations with human serum albumin (HSA), fibrinogen (Fib), and transferrin (Tf) declared that peptide modified AcDEX polymers are the most probable NPs to absorb a layer of the protein corona. Abstract : A coarse‐grained molecular dynamic simulation approach is used to predict complex interactions at the bio‐interface of nanoparticles and macrophages as well as corona formation on the nanocarriers by an atomistic approach, introducing a cornerstone for better design of targeted drug delivery systems and diagnostics for many of inflammatory diseases and cancers.