Working with Small Molecules: Preparing and Storing Stock Solutions and Determination of Kinetic Solubility

2011 ◽  
pp. 265-271 ◽  
Author(s):  
Andrea Wolf ◽  
Satoko Shimamura ◽  
Friedrich B. M. Reinhard
Keyword(s):  
Small Molecules ◽  
Stock Solutions ◽  
Kinetic Solubility

scholarly journals Cryo-EM structure of the NLRP3 decamer bound to the cytokine release inhibitory drug CRID3

2021 ◽  
Author(s):  
Inga V. Hochheiser ◽  
Michael Pilsl ◽  
Gregor Hagelueken ◽  
Jonas Moecking ◽  
Michael Marleaux ◽  
...  
Keyword(s):  
Small Molecules ◽  
Nucleotide Binding Domain ◽  
Native Form ◽  
Spherical Structure ◽  
Cryo Electron Microscopy ◽  
Rational Drug ◽  
Inhibitory Drug ◽  
Drug Optimization ◽  
Apical Axis

NLRP3 is an intracellular sensor protein whose activation by a broad spectrum of exogenous and endogenous stimuli leads to inflammasome formation and pyroptosis. The mechanisms leading to NLRP3 activation and the way how antagonistic small molecules function remain poorly understood. Here we report the cryo-electron microscopy structures of full-length NLRP3 in its native form and complexed with the inhibitor CRID3 (also named MCC950). Inactive, ADP-bound NLRP3 is a decamer composed of homodimers of intertwined LRR domains that assemble back-to-back as pentamers with the NACHT domain located at the apical axis of this spherical structure. Molecular contacts between the concave sites of two opposing LRRs are mediated by an acidic loop extending from an LRR transition segment. Binding of CRID3 significantly stabilizes the NACHT and LRR domains relative to each other, allowing structural resolution of 3.9-4.2 Ang. CRID3 binds into a cleft, connecting four subdomains of the NACHT with the transition LRR. Its central sulfonylurea group interacts with the Walker A motif of the NLRP3 nucleotide-binding domain and is sandwiched between two arginines from opposing sites, explaining the specificity of NLRP3 for this chemical entity. With the determination of the binding site of this lead therapeutic, specific targeting of NLRP3 for the treatment of autoinflammatory and autoimmune diseases and rational drug optimization are within reach.

Theoretical determination of the lithium affinity of several small molecules

1994 ◽  
Vol 74 (4) ◽  
Author(s):  
I. Tamássy-Lentei ◽  
J. Szaniszló
Keyword(s):  
Small Molecules ◽  
Theoretical Determination

Rapid lateral flow assays based on the quantification of magnetic nanoparticle labels for multiplexed immunodetection of small molecules: application to the determination of drugs of abuse

2019 ◽  
Vol 186 (9) ◽  
Author(s):  
Natalia V. Guteneva ◽  
Sergey L. Znoyko ◽  
Alexey V. Orlov ◽  
Maxim P. Nikitin ◽  
Petr I. Nikitin
Keyword(s):  
Small Molecules ◽  
Magnetic Nanoparticle ◽  
Drugs Of Abuse ◽  
Lateral Flow ◽  
Lateral Flow Assays

ELECTROCHEMICAL DNA SENSOR TECHNOLOGY FOR MONITORING OF DRUG–DNA INTERACTIONS

NANO ◽  
2008 ◽  
Vol 03 (04) ◽  
pp. 229-232 ◽  
Author(s):  
A. ERDEM ◽  
H. KARADENIZ ◽  
A. CALISKAN ◽  
A. VASEASHTA
Keyword(s):  
Drug Delivery ◽  
Small Molecules ◽  
Anticancer Drugs ◽  
Point Of Care ◽  
Sensor Technology ◽  
Electrochemical Biosensors ◽  
Dna Sensor ◽  
Dna Interactions ◽  
Electrochemical Dna Sensor

The objective of this investigation is to understand the nature and dynamics of binding small molecules to bio-macromolecules using electrochemical methods. The investigation pertaining to the design of site- and conformation-specific reagents provides a rationale for new studies of drug delivery design. Some anticancer drugs and DNA interactions have been undertaken by using a variety of techniques. Determination of interaction between DNA and DNA-targeted molecules would be valuable in the design of molecule-specific electrochemical biosensors for applications in diagnostics, development of drugs for chemotherapy, and as a biotechnological tool for DNA-based point-of-care diagnosis.

Fluorescence Polarization Based Displacement Assay for the Determination of Small Molecules with Aptamers

2008 ◽  
Vol 80 (22) ◽  
pp. 8853-8855 ◽  
Author(s):  
Jorge A. Cruz-Aguado ◽  
Gregory Penner
Keyword(s):  
Small Molecules ◽  
Fluorescence Polarization ◽  
Displacement Assay

Mass spectrometry-based determination of lipids and small molecules composing adipose tissue with a focus on brown adipose tissue

2020 ◽  
Vol 191 ◽  
pp. 113623
Author(s):  
Katarzyna Miniewska ◽  
Joanna Godzien ◽  
Patrycja Mojsak ◽  
Katarzyna Maliszewska ◽  
Adam Kretowski ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Adipose Tissue ◽  
Brown Adipose Tissue ◽  
Small Molecules ◽  
Brown Adipose

scholarly journals Polarization spectroscopy methods in the determination of interactions of small molecules with nucleic acids – tutorial

2018 ◽  
Vol 14 ◽  
pp. 84-105 ◽  
Author(s):  
Tamara Šmidlehner ◽  
Ivo Piantanida ◽  
Gennaro Pescitelli
Keyword(s):  
Nucleic Acids ◽  
Small Molecules ◽  
Helical Structure ◽  
Linear Dichroism ◽  
Research Field ◽  
X Ray Diffraction ◽  
Polarization Spectroscopy ◽  
Dna And Rna

The structural characterization of non-covalent complexes between nucleic acids and small molecules (ligands) is of a paramount significance to bioorganic research. Highly informative methods about nucleic acid/ligand complexes such as single crystal X-ray diffraction or NMR spectroscopy cannot be performed under biologically compatible conditions and are extensively time consuming. Therefore, in search for faster methods which can be applied to conditions that are at least similar to the naturally occurring ones, a set of polarization spectroscopy methods has shown highly promising results. Electronic circular dichroism (ECD) is the most commonly used method for the characterization of the helical structure of DNA and RNA and their complexes with ligands. Less common but complementary to ECD, is flow-oriented linear dichroism (LD). Other methods such as vibrational CD (VCD) and emission-based methods (FDCD, CPL), can also be used for suitable samples. Despite the popularity of polarization spectroscopy in biophysics, aside several highly focused reviews on the application of these methods to DNA/RNA research, there is no systematic tutorial covering all mentioned methods as a tool for the characterization of adducts between nucleic acids and small ligands. This tutorial aims to help researchers entering the research field to organize experiments accurately and to interpret the obtained data reliably.

One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple Stereocenters

2016 ◽  
Vol 81 (22) ◽  
pp. 11126-11131 ◽  
Author(s):  
Laura Castañar ◽  
Manuela Garcia ◽  
Erich Hellemann ◽  
Pau Nolis ◽  
Roberto R. Gil ◽  
...  
Keyword(s):  
Small Molecules ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings
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