Launch of the Manacá Beamline at Sirius: First Protein Crystallography Structures and New Opportunities for Pharmaceutical Development Using Synchrotrons

Nascimento, Andrey Fabricio Ziem; Araújo, Evandro Ares de; Hagio, Carlos; Almeida, Silas; Rodrigues, Ana Carolina; Trivella, Daniela Barretto Barbosa; Bruder, Marjorie; Rustiguel, Joane K.; Röpke, Cristina Dislich; Pessa, Lisandra Ravanelli; Azevedo, Hátylas; Cardoso, Mateus Borba; Zeri, Ana Carolina de Mattos

doi:10.1080/08940886.2021.1994310

Cited by 5 publications

(4 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Due to the fact that the MANACA is a macromolecular crystallography beamline, we needed to collect data from multiple kappa orientations using a mini-kappa goniometer head to avoid the lack of completeness at high angles . The data reduction and merging were performed using the XDS as stablished in the MANACAutoproc pipeline . The data were corrected for absorption effects using the empirical method implemented in XDS .…”

Section: Methodsmentioning

confidence: 99%

“…65 The data reduction and merging were performed using the XDS 66 as stablished in the MANACAutoproc pipeline. 67 The data were corrected for absorption effects using the empirical method implemented in XDS. 66 The structures were solved by Intrinsic phasing employing ShelXL 69 and refined with the ShelXL package using Least Squares minimization, using Olex2.…”

Section: ■ Conclusionmentioning

confidence: 99%

See 1 more Smart Citation

Elastic Guanine-Based Single Crystals with Optical Waveguiding Properties: Toward Tailored Bioinspired Materials

Movilla,

Hodak,

Di Salvo

2024

Crystal Growth & Design

View full text Add to dashboard Cite

Flexible organic crystalline materials exhibiting both mechanical and optical properties have received significant attention due to their potential applications in flexible optical devices. Despite numerous examples reported in recent years, the use of organic salts or biologically related molecules for constructing such materials remains relatively scarce. We investigate the elastic bending ability of both guaninium chloride dihydrate single crystals and a novel material formed by this guanine salt doped with acridine orange in its acidic form. Even though the presence of the dye does not induce significant changes in the host crystalline structure, our findings reveal an unexpected increase in the maximum elastic strain from 1.06% in the guanine-based material to 1.50% when intracrystalline acridine orange is present. Emission lifetime and absorption coefficient in the doped crystals showed their optical quality and their ability to act as light guides, even under bent geometries with optical loss coefficients of 19.5 and 12.2 dB/mm, respectively (reference values of the straight crystals). Thus, these results shed light on the intriguing colored biomaterials observed in various organisms, such as geckos, spiders, and fishes, where structural coloration alone cannot account for the observed phenomena. Our results underscore the potential of guaninium chloride dihydrate as a versatile platform for developing bioinspired materials with tailored mechanical and optical properties through judicious choice of dopants.

show abstract

Section: Methodsmentioning

confidence: 99%

Section: ■ Conclusionmentioning

confidence: 99%

Elastic Guanine-Based Single Crystals with Optical Waveguiding Properties: Toward Tailored Bioinspired Materials

Movilla,

Hodak,

Di Salvo

2024

Crystal Growth & Design

View full text Add to dashboard Cite

show abstract

“…Protein crystals were cryoprotected by rapid soaking in reservoir solution containing 25% glycerol and flash-cooled in liquid nitrogen. X-ray diffraction data were collected under cryogenic conditions (100 K) at 1.327 Å and 0.977 Å wavelength at the Manacá beamline (macromolecular micro and nano crystallography) 55 of Sirius, the Brazilian synchrotron light source (LNLS, Campinas, Brazil), using a PILATUS 2 M detector placed 145 mm from the crystal. The X-ray data were collected using a fine ϕ-slicing strategy, rotated through 360° with a 0.1° oscillation range per frame.…”

Section: Methodsmentioning

confidence: 99%

Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor

Mercaldi

Bezerra²,

Batista³

et al. 2022

Sci Rep

Self Cite

View full text Add to dashboard Cite

The nucleocapsid (N) protein plays critical roles in coronavirus genome transcription and packaging, representing a key target for the development of novel antivirals, and for which structural information on ligand binding is scarce. We used a novel fluorescence polarization assay to identify small molecules that disrupt the binding of the N protein to a target RNA derived from the SARS-CoV-2 genome packaging signal. Several phenolic compounds, including L-chicoric acid (CA), were identified as high-affinity N-protein ligands. The binding of CA to the N protein was confirmed by isothermal titration calorimetry, 1H-STD and 15N-HSQC NMR, and by the crystal structure of CA bound to the N protein C-terminal domain (CTD), further revealing a new modulatory site in the SARS-CoV-2 N protein. Moreover, CA reduced SARS-CoV-2 replication in cell cultures. These data thus open venues for the development of new antivirals targeting the N protein, an essential and yet underexplored coronavirus target.

show abstract

“…Protein crystals were cryoprotected by rapid soaking in reservoir solution containing 25% glycerol and ash-cooled in liquid nitrogen. X-ray diffraction data were collected under cryogenic conditions (100 K) at 1.327 Å and 0.977 Å wavelength at the Manacá beamline (macromolecular micro and nano crystallography) 52 of Sirius, the Brazilian synchrotron light source (LNLS, Campinas, Brazil), using a PILATUS 2M detector placed 145 mm from the crystal. The X-ray data were collected using a ne ϕ-slicing strategy, rotated through 360° with a 0.1° oscillation range per frame.…”

Section: Protein Crystallization and X-ray Data Collectionmentioning

confidence: 99%

Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor

Mercaldi

Bezerra

Batista

et al. 2022

Preprint

View full text Add to dashboard Cite

The nucleocapsid (N) protein plays critical roles in coronavirus genome transcription and packaging, representing a key target for the development of novel antivirals, and for which structural information on ligand binding is scarce. We used a novel fluorescence polarization assay to identify small molecules that disrupt the binding of the N protein to a target RNA derived from the SARS-CoV-2 genome packaging signal. Several phenolic compounds, including L-chicoric acid (CA), were identified as high-affinity N-protein ligands. The binding of CA to the N protein was confirmed by isothermal titration calorimetry, 1H-STD NMR, and by the crystal structure of CA bound to the N protein C-terminal domain (CTD), further revealing a new modulatory site in the SARS-CoV-2 N protein. Moreover, CA reduced SARS-CoV-2 replication in cell cultures. These data thus open venues for the development of new antivirals targeting the N protein, an essential and yet underexplored coronavirus target.

show abstract

Launch of the Manacá Beamline at Sirius: First Protein Crystallography Structures and New Opportunities for Pharmaceutical Development Using Synchrotrons

Cited by 5 publications

References 22 publications

Elastic Guanine-Based Single Crystals with Optical Waveguiding Properties: Toward Tailored Bioinspired Materials

Elastic Guanine-Based Single Crystals with Optical Waveguiding Properties: Toward Tailored Bioinspired Materials

Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor

Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor

Contact Info

Product

Resources

About