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1.
J Mech Behav Biomed Mater ; 125: 104894, 2022 01.
Artigo em Inglês | MEDLINE | ID: mdl-34656921

RESUMO

In this work, the microstructure, crystallographic texture, hardness, and tensile behavior of AZ91/HA bio-nano composite manufactured by multi-pass friction stir processing (FSP) were investigated. With increasing the number of FSP passes, the average size of grains is reduced. The processed AZ91 and AZ91/HA nanocomposite after the third pass had the lowest grain size (4.5 and 2.6 µm, respectively). Also, the average grain size of composites was smaller than that of monolithic samples at the same pass number. The results showed that particle distribution in the AZ91/HA nanocomposite is significantly affected by the number of passes. The increment of the pass number led to a more uniform dispersion of HA nanoparticles in the matrix due to more plastic flow of materials. With increasing the pass number to three, the accumulated strain increased to 0.726 (monolithic) and 0.623 (composite) due to repeating mechanical stirring. There was a texture transition ({101‾1} to {0002}) via performing only one pass of FSP. Suppression of grain rotation by HA nanoparticles maintained the intensity of {101‾1} texture as a corrosion-resistant orientation after the third pass. With increasing the pass number of FSP, the hardness and strength of samples increased due to the grain size reduction and the more uniform dispersion of HA powder. The composite sample after the third pass exhibited the highest hardness of 117.0 HV and ultimate tensile strength of 306.6 MPa. The failure mode of processed samples was ductile. There were smaller dimples on the fracture surface of the composite samples due to their lower grain size and also the presence of HA nanoparticles. Considering the obtained results, the nanocomposite after the third pass can be a good load-bearing implant for biomedical applications.


Assuntos
Magnésio , Nanocompostos , Cristalografia , Fricção
2.
Acta Crystallogr A Found Adv ; 78(Pt 1): 56-58, 2022 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-34967329

RESUMO

The intrinsic, hyperbolic crystallography of the Diamond and Gyroid minimal surfaces in their conventional unit cells is introduced and analysed. Tables are constructed of symmetry subgroups commensurate with the translational symmetries of the surfaces as well as group-subgroup lattice graphs.


Assuntos
Diamante , Cristalografia
3.
Nature ; 598(7879): 32, 2021 10.
Artigo em Inglês | MEDLINE | ID: mdl-34611357
4.
Elife ; 102021 09 10.
Artigo em Inglês | MEDLINE | ID: mdl-34505572

RESUMO

Autophagy is a cellular process that degrades cytoplasmic cargo by engulfing it in a double-membrane vesicle, known as the autophagosome, and delivering it to the lysosome. The ATG12-5-16L1 complex is responsible for conjugating members of the ubiquitin-like ATG8 protein family to phosphatidylethanolamine in the growing autophagosomal membrane, known as the phagophore. ATG12-5-16L1 is recruited to the phagophore by a subset of the phosphatidylinositol 3-phosphate-binding seven-bladedß -propeller WIPI proteins. We determined the crystal structure of WIPI2d in complex with the WIPI2 interacting region (W2IR) of ATG16L1 comprising residues 207-230 at 1.85 Å resolution. The structure shows that the ATG16L1 W2IR adopts an alpha helical conformation and binds in an electropositive and hydrophobic groove between WIPI2 ß-propeller blades 2 and 3. Mutation of residues at the interface reduces or blocks the recruitment of ATG12-5-16 L1 and the conjugation of the ATG8 protein LC3B to synthetic membranes. Interface mutants show a decrease in starvation-induced autophagy. Comparisons across the four human WIPIs suggest that WIPI1 and 2 belong to a W2IR-binding subclass responsible for localizing ATG12-5-16 L1 and driving ATG8 lipidation, whilst WIPI3 and 4 belong to a second W34IR-binding subclass responsible for localizing ATG2, and so directing lipid supply to the nascent phagophore. The structure provides a framework for understanding the regulatory node connecting two central events in autophagy initiation, the action of the autophagic PI 3-kinase complex on the one hand and ATG8 lipidation on the other.


Assuntos
Autofagossomos/metabolismo , Proteínas Relacionadas à Autofagia/metabolismo , Autofagia , Membranas Intracelulares/metabolismo , Proteínas de Membrana/metabolismo , Proteínas de Ligação a Fosfato/metabolismo , Autofagossomos/genética , Família da Proteína 8 Relacionada à Autofagia/metabolismo , Proteínas Relacionadas à Autofagia/química , Proteínas Relacionadas à Autofagia/genética , Cristalografia , Células HeLa , Humanos , Interações Hidrofóbicas e Hidrofílicas , Proteínas de Membrana/química , Proteínas de Membrana/genética , Modelos Moleculares , Proteínas de Ligação a Fosfato/química , Proteínas de Ligação a Fosfato/genética , Fosfatidilinositol 3-Quinase/metabolismo , Mutação Puntual , Conformação Proteica em alfa-Hélice , Transporte Proteico , Transdução de Sinais , Relação Estrutura-Atividade
5.
J Phys Chem B ; 125(39): 10985-11004, 2021 10 07.
Artigo em Inglês | MEDLINE | ID: mdl-34553936

RESUMO

O-phospho-l-serine (Pser) and its Ca salt, Ca[O-phospho-l-serine]·H2O (CaPser), play important roles for bone mineralization and were recently also proposed to account for the markedly improved bone-adhesive properties of Pser-doped calcium phosphate-based cements for biomedical implants. However, the hitherto few proposed structural models of Pser and CaPser were obtained by X-ray diffraction, thereby leaving the proton positions poorly defined. Herein, we refine the Pser and CaPser structures by density functional theory (DFT) calculations and contrast them with direct interatomic-distance constraints from two-dimensional (2D) nuclear magnetic resonance (NMR) correlation experimentation at fast magic-angle spinning (MAS), encompassing double-quantum-single-quantum (2Q-1Q) 1H NMR along with heteronuclear 13C{1H} and 31P{1H} correlation NMR experiments. The Pser and CaPser structures before and after refinements by DFT were validated against sets of NMR-derived effective 1H-1H, 1H-31P, and 1H-13C distances, which confirmed the improved accuracy of the refined structures. Each distance set was derived from one sole 2D NMR experiment applied to a powder without isotopic enrichment. The distances were extracted without invoking numerical spin-dynamics simulations or approximate phenomenological models. We highlight the advantages and limitations of the new distance-extraction procedure. Isotropic 1H, 13C, and 31P chemical shifts obtained by DFT calculations using the gauge including projector augmented wave (GIPAW) method agreed very well with the experimental results. We discuss the isotropic and anisotropic 13C and 31P chemical-shift parameters in relation to the previous literature, where most data on CaPser are reported herein for the first time.


Assuntos
Cálcio , Serina , Cristalografia , Espectroscopia de Ressonância Magnética , Prótons
6.
Molecules ; 26(18)2021 Sep 13.
Artigo em Inglês | MEDLINE | ID: mdl-34577034

RESUMO

Cyclotides have attracted great interest as drug design scaffolds because of their unique cyclic cystine knotted topology. They are classified into three subfamilies, among which the bracelet subfamily represents the majority and comprises the most bioactive cyclotides, but are the most poorly utilized in drug design applications. A long-standing challenge has been the very low in vitro folding yields of bracelets, hampering efforts to characterize their structures and activities. Herein, we report substantial increases in bracelet folding yields enabled by a single point mutation of residue Ile-11 to Leu or Gly. We applied this discovery to synthesize mirror image enantiomers and used quasi-racemic crystallography to elucidate the first crystal structures of bracelet cyclotides. This study provides a facile strategy to produce bracelet cyclotides, leading to a general method to easily access their atomic resolution structures and providing a basis for development of biotechnological applications.


Assuntos
Ciclotídeos , Sequência de Aminoácidos , Cristalografia , Cistina , Dobramento de Proteína
7.
J Phys Chem Lett ; 12(32): 7701-7707, 2021 Aug 19.
Artigo em Inglês | MEDLINE | ID: mdl-34355903

RESUMO

The resolving power of solid-state nuclear magnetic resonance (NMR) crystallography depends heavily on the accuracy of computational predictions of NMR chemical shieldings of candidate structures, which are usually taken to be local minima in the potential energy. To test the limits of this approximation, we systematically study the importance of finite-temperature and quantum nuclear fluctuations for 1H, 13C, and 15N shieldings in polymorphs of three paradigmatic molecular crystals: benzene, glycine, and succinic acid. The effect of quantum fluctuations is comparable to the typical errors of shielding predictions for static nuclei with respect to experiments, and their inclusion improves the agreement with measurements, translating to more reliable assignment of the NMR spectra to the correct candidate structure. The use of integrated machine-learning models, trained on first-principles energies and shieldings, renders rigorous sampling of nuclear fluctuations affordable, setting a new standard for the calculations underlying NMR structure determinations.


Assuntos
Benzeno/química , Glicina/química , Ácido Succínico/química , Isótopos de Carbono/química , Cristalografia/métodos , Hidrogênio/química , Aprendizado de Máquina , Espectroscopia de Ressonância Magnética , Isótopos de Nitrogênio/química
8.
J Phys Chem B ; 125(32): 9102-9114, 2021 08 19.
Artigo em Inglês | MEDLINE | ID: mdl-34357776

RESUMO

The recently developed multiple structures from one crystal (MSOX) serial crystallography method can be used to provide multiple snapshots of the progress of enzymatic reactions taking place within a protein crystal. Such MSOX snapshots can be used as a reference for combined quantum mechanical/molecular mechanical (QM/MM) simulations of enzyme reactivity within the crystal. QM/MM calculations are used to identify details of reference states that cannot be directly observed by X-ray diffraction experiments, such as protonation and oxidation states. These reference states are then used as known fixed endpoints for the modeling of reaction paths. We investigate the mechanism of nitrite reduction in an Achromobacter cycloclastes copper nitrite reductase crystal using MSOX-guided QM/MM calculations, identifying the change in nitrite binding orientation with a change in copper oxidation state, and determining the reaction path to the final NO-bound MSOX structure. The results are compared with QM/MM simulations performed in a solvated environment.


Assuntos
Nitrito Redutases , Nitritos , Cobre , Cristalografia , Cristalografia por Raios X , Modelos Moleculares
9.
J Chem Inf Model ; 61(8): 3988-3999, 2021 08 23.
Artigo em Inglês | MEDLINE | ID: mdl-34375114

RESUMO

Human hemoglobin (HbA) is one of the prototypal systems used to investigate structure-function relationships in proteins. Indeed, HbA has been used to develop the basic concepts of protein allostery, although the atomic-level mechanism underlying the HbA functionality is still highly debated. This is due to the fact that most of the three-dimensional structural information collected over the decades refers to the endpoints of HbA functional transition with little data available for the intermediate states. Here, we report molecular dynamics (MD) simulations by focusing on the relevance of the intermediate states of the protein functional transition unraveled by the crystallographic studies carried out on vertebrate Hbs. Fully atomistic simulations of the HbA T-state indicate that the protein undergoes a spontaneous transition toward the R-state. The inspection of the trajectory structures indicates that the protein significantly populates the intermediate HL-(C) state previously unraveled by crystallography. In the structural transition, it also assumes the intermediate states crystallographically detected in Antarctic fish Hbs. This finding suggests that HbA and Antarctic fish Hbs, in addition to the endpoints of the transitions, also share a similar deoxygenation pathway despite a distace of hundreds of millions of years in the evolution scale. Finally, using the essential dynamic sampling methodology, we gained some insights into the reverse R to T transition that is not spontaneously observed in classic MD simulations.


Assuntos
Hemoglobinas , Simulação de Dinâmica Molecular , Animais , Cristalografia , Humanos , Estrutura Quaternária de Proteína
10.
Nano Lett ; 21(17): 7198-7205, 2021 09 08.
Artigo em Inglês | MEDLINE | ID: mdl-34406019

RESUMO

Z phase is one of the three basic units by which the Frank-Kasper (F-K) phases are generally assembled. Compared to the other two basic units, that is, A15 and C15 structures, the Z structure is rarely experimentally observed because of a relatively large volume ratio among the constituents to inhibit its formation. Moreover, the discovered Z structures are generally the three-dimensional ordered Gibbs bulk phases to conform to their thermodynamic stability. Here, we confirmed the existence of a metastable two-dimensional F-K Z phase that has only one unit-cell height in the crystallography in a model Mg-Sm-Zn system, using atomic-scale scanning transmission electron microscopy combined with the first-principles calculations. Self-adapted atomic shuffling can convert the simple hexagonal close-packed structure to the topologically close-packed F-K Z phase. This finding provides new insight into understanding the formation mechanism and clustering behavior of the F-K phases and even quasicrystals in general condensed matters.


Assuntos
Cristalografia
11.
J Phys Chem Lett ; 12(33): 8039-8045, 2021 Aug 26.
Artigo em Inglês | MEDLINE | ID: mdl-34402624

RESUMO

Calcite dissolution is initiated by the formation of a nanoscale etch pit followed by step edge propagation and hence strongly influenced by the interactions between surface diffusing ions and step edges. However, such atomic-scale dynamics are mostly inaccessible with current imaging tools. Here, we overcome this limitation by using our recent development of high-speed frequency modulation atomic force microscopy. By visualizing atomic-scale structural changes of the etch pits at the calcite surface in water, we found the existence of mobile and less-mobile surface adsorption layers (SALs) in the etch pits. We also found that some etch pits maintain their size for a long time without expansion, and their step edges are often associated with less-mobile SALs, suggesting their step stabilization effect.


Assuntos
Carbonato de Cálcio/química , Microscopia de Força Atômica/métodos , Nanoestruturas/química , Adsorção , Cristalografia , Estrutura Molecular , Solubilidade , Propriedades de Superfície , Água/química
12.
Chemistry ; 27(58): 14489-14500, 2021 Oct 19.
Artigo em Inglês | MEDLINE | ID: mdl-34415083

RESUMO

Our understanding of the factors affecting the stability of cyclic d/l peptide (CP) nanotubes remains underdeveloped. In this work, we investigate the impact of side chain alignment, hydrophobicity and charge on CP nanotube stability through X-ray crystallography, NMR spectroscopy and molecular dynamics (MD) simulations. We characterise the distinct CP-CP alignments that can form and identify stable and unstable dimers by MD simulation. We measure H-bond half-lives of synthesised CPs by 1 H-D exchange experiments and find good correlation with predicted CP-CP stabilities. We find that hydrophobic amino acids improve CP dimer stability but experimentally reduce solubility. Charged amino acids either increase or decrease CP dimer stability depending on the relative orientation and composition of charged groups. X-ray crystal structures are solved for two CPs, revealing non-tubular folded conformations. Ultimately, this work will assist the educated design of stable tubular structures for potential applications in biomedicine.


Assuntos
Nanotubos de Peptídeos , Nanotubos , Cristalografia , Cristalografia por Raios X , Espectroscopia de Ressonância Magnética , Simulação de Dinâmica Molecular , Peptídeos Cíclicos
13.
J Vis Exp ; (174)2021 08 06.
Artigo em Inglês | MEDLINE | ID: mdl-34424235

RESUMO

Amongst the challenges for a variety of research fields are the visualization of solid-liquid interfaces and understanding how they are affected by the solution conditions such as ion concentrations, pH, ligands, and trace additives, as well as the underlying crystallography and chemistry. In this context, three-dimensional fast force mapping (3D FFM) has emerged as a promising tool for investigating solution structure at interfaces. This capability is based on atomic force microscopy (AFM) and allows the direct visualization of interfacial regions in three spatial dimensions with sub-nanometer resolution. Here we provide a detailed description of the experimental protocol for acquiring 3D FFM data. The main considerations for optimizing the operating parameters depending on the sample and application are discussed. Moreover, the basic methods for data processing and analysis are discussed, including the transformation of the measured instrument observables into tip-sample force maps that can be linked to the local solution structure. Finally, we shed light on some of the outstanding questions related to 3D FFM data interpretation and how this technique can become a central tool in the repertoire of surface science.


Assuntos
Microscopia de Força Atômica , Cristalografia
14.
ACS Chem Biol ; 16(8): 1469-1481, 2021 08 20.
Artigo em Inglês | MEDLINE | ID: mdl-34328734

RESUMO

The programmed -1 ribosomal frameshifting element (PFSE) of SARS-CoV-2 is a well conserved structured RNA found in all coronaviruses' genomes. By adopting a pseudoknot structure in the presence of the ribosome, the PFSE promotes a ribosomal frameshifting event near the stop codon of the first open reading frame Orf1a during translation of the polyprotein pp1a. Frameshifting results in continuation of pp1a via a new open reading frame, Orf1b, that produces the longer pp1ab polyprotein. Polyproteins pp1a and pp1ab produce nonstructural proteins NSPs 1-10 and NSPs 1-16, respectively, which contribute vital functions during the viral life cycle and must be present in the proper stoichiometry. Both drugs and sequence alterations that affect the stability of the -1 programmed ribosomal frameshifting element disrupt the stoichiometry of the NSPs produced, which compromise viral replication. For this reason, the -1 programmed frameshifting element is considered a promising drug target. Using chaperone assisted RNA crystallography, we successfully crystallized and solved the three-dimensional structure of the PFSE. We observe a three-stem H-type pseudoknot structure with the three stems stacked in a vertical orientation stabilized by two triple base pairs at the stem 1/stem 2 and stem 1/stem 3 junctions. This structure provides a new conformation of PFSE distinct from the bent conformations inferred from midresolution cryo-EM models and provides a high-resolution framework for mechanistic investigations and structure-based drug design.


Assuntos
Cristalografia/métodos , Mudança da Fase de Leitura do Gene Ribossômico/fisiologia , Chaperonas Moleculares , RNA Viral/metabolismo , SARS-CoV-2/metabolismo , Humanos , Modelos Moleculares , Conformação de Ácido Nucleico , RNA Viral/genética , Ribossomos/metabolismo , SARS-CoV-2/genética , Proteínas Virais/química , Proteínas Virais/genética , Proteínas Virais/metabolismo , Replicação Viral/fisiologia
15.
FEBS J ; 288(14): 4160-4164, 2021 07.
Artigo em Inglês | MEDLINE | ID: mdl-34286923

RESUMO

This 75th birthday tribute to our Editorial Board member Alexander Wlodawer recounts his decades-long service to the community of structural biology researchers. His former and current colleagues tell the story of his upbringing and education, followed by an account of his dedication to quality and rigor in crystallography and structural science. The FEBS Journal Editor-in-Chief Seamus Martin further highlights Alex's outstanding contributions to the journal's success over many years.


Assuntos
Cristalografia/história , Biologia Molecular/história , História do Século XX , História do Século XXI , Humanos
16.
Int J Mol Sci ; 22(13)2021 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-34281169

RESUMO

The inelastic interaction between the incident photons and acoustic phonons in the taurine single crystal was investigated by using Brillouin spectroscopy. Three acoustic phonons propagating along the crystallographic b-axis were investigated over a temperature range of -185 to 175 °C. The temperature dependences of the sound velocity, the acoustic absorption coefficient, and the elastic constants were determined for the first time. The elastic behaviors could be explained based on normal lattice anharmonicity. No evidence for the structural phase transition was observed, consistent with previous structural studies. The birefringence in the ac-plane indirectly estimated from the split longitudinal acoustic modes was consistent with one theoretical calculation by using the extrapolation of the measured dielectric functions in the infrared range.


Assuntos
Taurina/química , Acústica , Cristalização , Cristalografia , Elasticidade , Fótons , Análise Espectral
17.
J Biol Chem ; 297(1): 100922, 2021 07.
Artigo em Inglês | MEDLINE | ID: mdl-34181947

RESUMO

The human mannose receptor plays an important role in scavenging a variety of glycans and glycoconjugates, which contributes to both innate and adaptive immunity. However, the fine details of its ligand specificity, and specifically that of carbohydrate-recognition domain 4, the most functionally relevant C-type lectin domain within the receptor, are not completely understood. Feinberg et al. use glycan arrays, crystallography, and a newly trimmed version of carbohydrate-recognition domain 4 to elucidate the molecular mechanisms driving binding specificity. These data contribute to our molecular understanding of Ca2+-mediated binding promiscuity in the human mannose receptor and the scavenging role of the receptor itself and highlight unexpected interactions that should inspire further study.


Assuntos
Lectinas Tipo C , Receptores de Superfície Celular , Imunidade Adaptativa , Cristalografia , Humanos , Lectinas de Ligação a Manose
18.
J Vis Exp ; (172)2021 06 05.
Artigo em Inglês | MEDLINE | ID: mdl-34152315

RESUMO

EMBL Grenoble operates the High Throughput Crystallization Laboratory (HTX Lab), a large-scale user facility offering high throughput crystallography services to users worldwide. The HTX lab has a strong focus in the development of new methods in macromolecular crystallography. Through the combination of a high throughput crystallization platform, the CrystalDirect technology for fully automated crystal mounting and cryocooling and the CRIMS software we have developed fully automated pipelines for macromolecular crystallography that can be remotely operated over the internet. These include a protein-to-structure pipeline for the determination of new structures, a pipeline for the rapid characterization of protein-ligand complexes in support of medicinal chemistry, and a large-scale, automated fragment screening pipeline enabling evaluation of libraries of over 1000 fragments. Here we describe how to access and use these resources.


Assuntos
Proteínas , Software , Cristalização , Cristalografia , Cristalografia por Raios X , Substâncias Macromoleculares
19.
Int J Biol Macromol ; 184: 200-208, 2021 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-34126151

RESUMO

To develop the hydrogels with high mechanical strength and excellent conductivity is always a challenging topic. In this study, the ultra-strong hydroxypropyl cellulose (HPC)/polyvinyl alcohol (PVA) composite hydrogels were prepared by combination of the triple-network and mechanical training. The proposed composite hydrogels were achieved by physically crosslinking HPC with PVA to form the first crosslinking network, in which the HPC fibers could decrease the crosslinking density of PVA matrix and generate a lot of water-rich porous area. Then, 2-hydroxyethyl acrylate (HEA), acrylamide (AM) and aluminium chloride diffused into the first network to fabricate the chemical crosslinking network and ionically cross-linked domains. The formation of triple-network enhanced the mechanical strength and toughness to 1.87 MPa and 339.09 kJ/m3, respectively. Especially, the crystalline domains of PVA chains could improve the hydrogel's fatigue resistance, and the orderly arrangement of the crystalline domains achieved through mechanical training process could further enhance the mechanical strength. The mechanical strength of pre-stretched composite hydrogel was increased up to 2.8 MPa. The composite hydrogels exhibit great applications in sensors, human-machine interactions, and wearable devices.


Assuntos
Acrilamida/química , Acrilatos/química , Cloreto de Alumínio/química , Celulose/análogos & derivados , Álcool de Polivinil/química , Celulose/química , Cristalografia , Condutividade Elétrica , Hidrogéis , Teste de Materiais , Porosidade , Resistência à Tração , Dispositivos Eletrônicos Vestíveis
20.
J Hypertens ; 39(8): 1705-1716, 2021 08 01.
Artigo em Inglês | MEDLINE | ID: mdl-34188005

RESUMO

BACKGROUND: Hypertension has been identified as the most common comorbidity in coronavirus disease 2019 (COVID-19) patients, and has been suggested as a risk factor for COVID-19 disease outcomes. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus enters host human cells via binding to host cell angiotensin-converting enzyme 2 (ACE2) receptors. Inhibition of ACE2 has been proposed as a potential therapeutic approach to block SARS-CoV-2 contagion. However, some experts suggest that ACE2 inhibition could worsen the infection. Here, we aimed to study the effect of ACE2 inhibition on the SARS-CoV-2 spike protein binding to ACE2. METHOD: Crystallographic structures of the SARS-CoV-2 spike protein, the spike receptor-binding domain, native ACE2, and the ACE2 complexed with MLN-4760 were used as the study model structures. The spike proteins were docked to the ACE2 structures and the dynamics of the complexes, ligand-protein, and protein-protein interactions were studied by molecular dynamics simulation for 100 ns. RESULTS: Our result showed that inhibition of ACE2 by MLN-4760 increased the affinity of the SARS-CoV-2 spike protein binding to ACE2. Results also revealed that spike protein binding to the ACE2 inhibited by MLN-4760 restored the enzymatic active conformation of the ACE2 from closed/inactive to open/active conformation by removing MLN-4760 binding from the ligand-binding pocket of ACE2. CONCLUSION: We conclude that using ACE2 inhibitors can increase the risk of SARS-CoV-2 infection and worsen COVID-19 disease outcome. We also found that the SARS-CoV-2 can abrogate the function of ACE2 inhibitors and rescue the enzymatic activity of ACE2. Therefore, ACE2 inhibition is not a useful treatment against COVID-19 infection.


Assuntos
Enzima de Conversão de Angiotensina 2 , Simulação de Dinâmica Molecular , Glicoproteína da Espícula de Coronavírus , Enzima de Conversão de Angiotensina 2/antagonistas & inibidores , Enzima de Conversão de Angiotensina 2/química , Enzima de Conversão de Angiotensina 2/metabolismo , Cristalografia , Humanos , Imidazóis , Leucina/análogos & derivados , Glicoproteína da Espícula de Coronavírus/química , Glicoproteína da Espícula de Coronavírus/metabolismo
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