Results 101 to 110 of about 23,789 (261)

The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures [PDF]

open access: yes, 2013
Solving pharmaceutical crystal structures from powder diffraction data is discussed in terms of the methodologies that have been applied and the complexity of the structures that have been solved.
Edgeley, David S.   +4 more
core   +1 more source

Next Generation Hosts for Protein Recognition, Assembly and More

open access: yesChemistry – A European Journal, EarlyView.
The original design of synthetic receptors for proteins was based on macrocycles with a hydrophobic core and a polar/charged periphery. This design, geared towards protein recognition, facilitates receptor self‐assembly. Macrocycle oligomerization, in turn, contributes to protein assembly as evidenced in many cocrystal structures.
Peter B. Crowley
wiley   +1 more source

Synthesis of 1,2,3,4‐Tetrahydroisoquinoline‐3‐Carboxylic Acid‐Embedded Decapeptides: In Silico Studies and In Vitro Evaluation Against Breast Cancer

open access: yesChemistryOpen, EarlyView.
Synthesized decapeptides were designed and validated by in silico studies. They have significantly exhibited anticancer potential against breast cancer and MCF‐7 cell line. The above illustration specifies the synthetic pathway, biological screening, and the mode of action of the peptide in blocking the pathways responsible for the growth of cancer ...
Sunil Tivari   +7 more
wiley   +1 more source

Structural Basis of the Light‐Switchable Interaction between an Azobenzene Side Chain in a Biosynthetic Protein and α‐Cyclodextrin

open access: yesChemistryOpen, EarlyView.
X‐ray crystallographic analysis of super‐folder green fluorescent protein (sfGFP), a common reporter protein, displaying p‐(phenylazo)‐L‐phenylalanine (Pap) at amino acid position 39 on its surface in complex with α‐cyclodextrin (α‐CD) reveals an unexpected conformation of the photoswitchable side chain and illustrates its light‐dependent ...
Andreas Eichinger   +4 more
wiley   +1 more source

Organic crystalline polymers: structural properties and way to synthesis under high pressure

open access: yes, 2018
We consider different structures, which can be obtained by polymerization of aromatic organic molecules under high pressures. These 2D and 3D covalently bonded organic polymers and their functionalization can pave the way to production of energy storage ...
Brazhkin, V. V.   +4 more
core   +1 more source

Laboratory real-time and in situ monitoring of mechanochemical milling reactions using Raman spectroscopy [PDF]

open access: yes, 2014
Mechanistic understanding of mechanochemical reactions is sparse and has been acquired mostly by stepwise ex situ analysis. We describe here an unprecedented laboratory technique to monitor the course of mechanochemical transformations at the molecular ...
Friščić, Tomislav   +4 more
core   +1 more source

Disarming the Hsp70–Bim Alliance: Small‐Molecule and Peptidic Disruptors of a Chaperone‐Apoptotic Switch in Cancer

open access: yesChemistryOpen, EarlyView.
Targeting a nucleotide‐sensitive groove on Hsp70 that binds the Bim BH3 helix, we integrate structures, biophysics, and SAR from peptides, fragments, and phenalene‐dicarbonitrile “wedges.” These disrupt the Hsp70–Bim complex with sub‐µM cellular engagement and in vivo activity while sparing Hsp90/mortalin.
Emadeldin M. Kamel   +5 more
wiley   +1 more source

Investigation of an amide-pseudo amide hydrogen bonding motif within a series of theophylline:amide cocrystals [PDF]

open access: yes, 2016
The pharmaceutically active compound theophylline (T) was cocrystallised with the amides formamide (1), acetamide (2), N-methylformamide (3), N,N-dimethylformamide (4), benzamide (5) and pyrazinamide (6), with systems T:1, T:5 and T:6 displaying ...
Davis R. E.   +6 more
core   +3 more sources

Characterization of Structure, Properties, and Energetic Performance of a 1:1 Ammonium Dinitramide‐3,4‐Diaminofurazan Cocrystal

open access: yesPropellants, Explosives, Pyrotechnics, EarlyView.
Ammonium dinitramide (ADN) and 3,4‐Diaminofurazan (DAF) form a 1:1 energetic cocrystal. We report its crystal structure and spectroscopic signature and evaluate thermal stability, decomposition behavior, hygroscopicity, and combustion properties. Propellant performance calculations benchmark the material against guanylurea dinitramide (GuDN) and ...
Peter Schultz   +2 more
wiley   +1 more source

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