Functional and structural characterization of deleterious nsSNPs of cyp19a1 based on binding affinity and stability - A computational approach

Gene Reports ◽  
2016 ◽  
Vol 5 ◽  
pp. 34-39
Author(s):  
C. Benedict Paul ◽  
Sudandiradoss C.
Keyword(s):  
Binding Affinity ◽  
Structural Characterization ◽  
Computational Approach

Structural characterization of a hybrid terpyridine–pyrazine ligand and its one-dimensional ZnII coordination polymer: a computational approach to conventional and nonconventional intermolecular interactions

2019 ◽  
Vol 75 (9) ◽  
pp. 1299-1309
Author(s):  
Juan Granifo ◽  
Rubén Gaviño ◽  
Sebastián Suárez ◽  
Ricardo Baggio
Keyword(s):  
Coordination Polymer ◽  
Intermolecular Interaction ◽  
Structural Characterization ◽  
Computational Approach ◽  
Hirshfeld Surface ◽  
Enrichment Ratio ◽  
One Dimensional ◽  
Relevant Role ◽  
Packing Interactions

The structures of a new hybrid terpyridine–pyrazine ligand, namely 4′-[4-(pyrazin-2-yl)phenyl]-4,2′:6′,4′′-terpyridine (L2), C25H17N5, and its one-dimensional coordination polymer catena-poly[[bis(acetylacetonato-κ2 O,O′)zinc]-μ-4′-[4-(pyrazin-2-yl-κN 4)phenyl]-4,2′:6′,4′′-terpyridine-κN 1], [Zn(C5H7O2)2(C25H17N5)] n or [Zn(acac)2(L2)] n (Hacac is acetylacetone), are reported. Packing interactions in both crystal structures are analyzed using Hirshfeld surface and enrichment ratio techniques. For the simpler structure of the monomeric ligand, further studies on the interaction hierarchy using the energy framework approach were made. The result was a complete picture of the intermolecular interaction landscape, which revealed some subtle details, for example, that some weak (at first sight negligible) C—H...N interactions in the structure of free L2 play a relevant role in the crystal stabilization.

scholarly journals Structural characterization of Lyn-SH3 domain in complex with a herpesviral protein reveals an extended recognition motif that enhances binding affinity

2005 ◽  
Vol 14 (10) ◽  
pp. 2487-2498 ◽  
Author(s):  
Finn Bauer ◽  
Kristian Schweimer ◽  
Heike Meiselbach ◽  
Silke Hoffmann ◽  
Paul Rösch ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Structural Characterization ◽  
Sh3 Domain ◽  
Recognition Motif

New ultrastructural findings about Borrelia burgdorferi by cryofixation, negative staining, thin sectioning and scanning techniques

1990 ◽  
Vol 48 (3) ◽  
pp. 582-583
Author(s):  
S. F. Hayes ◽  
M. D. Corwin ◽  
T. G. Schwan ◽  
D. W. Dorward ◽  
W. Burgdorfer
Keyword(s):  
Lyme Disease ◽  
Borrelia Burgdorferi ◽  
Structural Characterization ◽  
Negative Staining ◽  
Low Speed ◽  
Thin Sectioning ◽  
Ultrastructural Findings

Characterization of Borrelia burgdorferi strains by means of negative staining EM has become an integral part of many studies related to the biology of the Lyme disease organism. However, relying solely upon negative staining to compare new isolates with prototype B31 or other borreliae is often unsatisfactory. To obtain more satisfactory results, we have relied upon a correlative approach encompassing a variety EM techniques, i.e., scanning for topographical features and cryotomy, negative staining and thin sectioning to provide a more complete structural characterization of B. burgdorferi.For characterization, isolates of B. burgdorferi were cultured in BSK II media from which they were removed by low speed centrifugation. The sedimented borrelia were carefully resuspended in stabilizing buffer so as to preserve their features for scanning and negative staining. Alternatively, others were prepared for conventional thin sectioning and for cryotomy using modified procedures. For thin sectioning, the fixative described by Ito, et al.

Structural characterization of the PPIase domain of FKBP51, a cochaperone of human Hsp90

2011 ◽  
Vol 44 (06) ◽  
Author(s):  
A Bracher ◽  
C Kozany ◽  
AK Thost ◽  
F Hausch
Keyword(s):  
Structural Characterization ◽  
Ppiase Domain

Structural characterization of dendrobine-type sesquiterpene alkaloids from the stems of Dendrobium nobile using LC-MS/MS

Planta Medica ◽  
2014 ◽  
Vol 80 (10) ◽  
Author(s):  
YH Wang ◽  
B Avula ◽  
N Abe ◽  
F Wei ◽  
M Wang ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Dendrobium Nobile
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