scholarly journals Preparation and Characterization of Aptamers Against O,p’-DDT

2020 ◽  
Vol 21 (6) ◽  
pp. 2211
Author(s):  
Wei Zhang ◽  
Danyang Li ◽  
Jianguang Zhang ◽  
Lingli Jiang ◽  
Zhaofa Li ◽  
...  
Keyword(s):  
Adverse Effects ◽  
Small Molecules ◽  
Tap Water ◽  
Endocrine Disrupting Chemicals ◽  
Specific Probe ◽  
Endocrine Disrupting ◽  
Systematic Evolution ◽  
Exponential Enrichment ◽  
Dissociation Constant Kd

The compound 1,1,1-trichloro-2-(p-chlorophenyl)-2-(o-chlorophenyl) ethane (o,p’-DDT) has been identified as one of the endocrine-disrupting chemicals causing adverse effects on wildlife and even humans through bioaccumulation. Its detection has become increasingly important. We have obtained candidate aptamers binding to o,p’-DDT by a systematic evolution of ligands by exponential enrichment (SELEX) protocol. Five out of seventeen candidate sequences were selected for preliminary characterization by SYBR Green I assay. One sequence with highest fluorescence response with o,p’-DDT, designated DDT_13, was chosen for further characterization. Its dissociation constant (Kd) was determined to be 412.3 ± 124.6 nM. DDT_13 exhibited low cross-binding activities on other tested small molecules. The good bioactivities of DDT_13 were demonstrated for the analysis of spiked lake water and tap water samples. This study provides a novel o,p’-DDT-specific probe for its future applications.

Characterization of endocrine-disrupting chemicals based on hormonal balance disruption in male and female adult rats

2012 ◽  
Vol 33 (3) ◽  
pp. 339-352 ◽  
Author(s):  
Nadia Quignot ◽  
Marine Arnaud ◽  
Franck Robidel ◽  
Anthony Lecomte ◽  
Mikaël Tournier ◽  
...  
Keyword(s):  
Endocrine Disrupting Chemicals ◽  
Female Adult ◽  
Adult Rats ◽  
Male And Female ◽  
Endocrine Disrupting ◽  
Hormonal Balance

scholarly journals Molecular Modeling Applied to Nucleic Acid-Based Molecule Development

Biomolecules ◽  
2018 ◽  
Vol 8 (3) ◽  
pp. 83 ◽  
Author(s):  
Arne Krüger ◽  
Flávia Zimbres ◽  
Thales Kronenberger ◽  
Carsten Wrenger
Keyword(s):  
Molecular Modeling ◽  
Nucleic Acid ◽  
Small Molecules ◽  
Structure Prediction ◽  
Rna Sequences ◽  
The Past ◽  
Enrichment Technique ◽  
Systematic Evolution ◽  
Exponential Enrichment ◽  
Early Drug

Molecular modeling by means of docking and molecular dynamics (MD) has become an integral part of early drug discovery projects, enabling the screening and enrichment of large libraries of small molecules. In the past decades, special emphasis was drawn to nucleic acid (NA)-based molecules in the fields of therapy, diagnosis, and drug delivery. Research has increased dramatically with the advent of the SELEX (systematic evolution of ligands by exponential enrichment) technique, which results in single-stranded DNA or RNA sequences that bind with high affinity and specificity to their targets. Herein, we discuss the role and contribution of docking and MD to the development and optimization of new nucleic acid-based molecules. This review focuses on the different approaches currently available for molecular modeling applied to NA interaction with proteins. We discuss topics ranging from structure prediction to docking and MD, highlighting their main advantages and limitations and the influence of flexibility on their calculations.

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