Understanding of the conformational flexibility and electrostatic properties of coumarin derivatives in the active site of S. cerevisiae α-glucosidase
Sign Up to like & getrecommendations! Published in 2017 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-017-2086-4
Abstract: This study has been carried out to understand the nature of conformational flexibility and electrostatic properties of polyhydroxyl coumarins derivatives. When these compounds present in the active site of S. cerevisiae α-glucosidase, the lactone rings… read more here.
Keywords: cerevisiae glucosidase; conformational flexibility; flexibility electrostatic; active site ... See more keywords
Conformational Flexibility of Ubiquitin-Modified and SUMO-Modified PCNA Shown by Full-Ensemble Hybrid Methods.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of molecular biology"
DOI: 10.1016/j.jmb.2018.10.017
Abstract: Ubiquitin-modified proliferating cell nuclear antigen (PCNA) and small ubiquitin-like modifier (SUMO)-modified PCNA regulate DNA damage tolerance pathways. X-ray crystal structures of these proteins suggested that they do not have much conformational flexibility because the modifiers… read more here.
Keywords: ensemble hybrid; flexibility; modified pcna; sumo modified ... See more keywords
Conformational flexibility and packing plausibility of repaglinide polymorphs
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.12.036
Abstract: Abstract The present manuscript highlights the structural insight into the repaglinide polymorphs. The experimental screening for the possible crystal forms were carried out using various solvents, which generated three forms. The crystal structure of Form… read more here.
Keywords: lattice energy; conformational flexibility; polymorphs; repaglinide polymorphs ... See more keywords
The Molecular Dance of Fibronectin: Conformational Flexibility Leads to Functional Versatility.
Sign Up to like & getrecommendations! Published in 2019 at "Biomacromolecules"
DOI: 10.1021/acs.biomac.8b01258
Abstract: Fibronectin, a large multimodular protein and one of the major fibrillar components of the extracellular matrix, has been the subject of study for many decades and plays critical roles in embryonic development and tissue homeostasis.… read more here.
Keywords: molecular dance; fibronectin; large number; conformational flexibility ... See more keywords
Computational Design To Reduce Conformational Flexibility and Aggregation Rates of an Antibody Fab Fragment.
Sign Up to like & getrecommendations! Published in 2018 at "Molecular pharmaceutics"
DOI: 10.1021/acs.molpharmaceut.8b00186
Abstract: Computationally guided semirational design has significant potential for improving the aggregation kinetics of protein biopharmaceuticals. While improvement in the global conformational stability can stabilize proteins to aggregation under some conditions, previous studies suggest that such… read more here.
Keywords: protein; aggregation; design; aggregation kinetics ... See more keywords
A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy
Sign Up to like & getrecommendations! Published in 2020 at "Communications Biology"
DOI: 10.1038/s42003-020-01420-3
Abstract: Antimicrobial peptides (AMPs) are a potential alternative to classical antibiotics that are yet to achieve a therapeutic breakthrough for treatment of systemic infections. The antibacterial potency of pleurocidin, an AMP from Winter Flounder, is linked… read more here.
Keywords: analogue greater; pleurocidin analogue; potency; conformational flexibility ... See more keywords
Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C6H5O)2P(O)X [X = NHC7H13 and N(CH2C6H5)2].
Sign Up to like & getrecommendations! Published in 2020 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229619016619
Abstract: The crystal structures of diphenyl (cycloheptylamido)phosphate, C19H24NO3P or (C6H5O)2P(O)(NHC7H13), (I), and diphenyl (dibenzylamido)phosphate, C26H24NO3P or (C6H5O)2P(O)[N(CH2C6H5)2], (II), are reported. The NHC7H13 group in (I) provides two significant hydrogen-donor sites in N-H...O and C-H...O hydrogen bonds,… read more here.
Keywords: c6h5o nhc7h13; crystal structures; flexibility amidophosphoesters; amidophosphoesters csd ... See more keywords