Back to Search Start Over

Parallel screening and cheminformatics modeling of flavonoid activated aptasensors.

Authors :
Yu Xiu
Ni Zhang
Prabhakaran, Pranesha
Sungho Jang
Qipeng Yuan
Breneman, Curt M.
Gyoo Yeol Jung
Wanwipa Vongsangnak
Koffas, Mattheos A. G.
Source :
Synthetic & Systems Biotechnology; Dec2022, Vol. 7 Issue 4, p1148-1158, 11p
Publication Year :
2022

Abstract

A parallel screening of 27 different flavonoids and chalcones was conducted using 6 artificial naringeninactivated riboswitches (M1, M2, M3, O, L and H). A quantitative structure-property relationship approach was applied to understand the physicochemical properties of the flavonoid structures resulting in specificity differences relied on the fluorescence intensity of a green fluorescent protein reporter. Robust models of riboswitches M1, M2 and O that had good predictive power were constructed with descriptors selected for their high correlation. Increased electronegativity and hydrophilicity of the flavonoids structures were identified as two properties that increased binding affinity to RNA riboswitches. Hydroxyl groups at the C-3′ and C-4’ positions of the flavonoid molecule were strictly required for ligand-activation with riboswitches M1 and M2. Riboswitches O and L preferred multi-hydroxylated flavones as ligands. Substitutions on the A ring of the flavonoid molecule were not important in the molecular recognition process. O-glycosylated derivatives were not recognized by any of the riboswitches, presumably due to steric hindrances. Despite the challenges of detecting RNA conformational change after ligand binding, the resulting models elucidate important physicochemical features in the ligands for conformational structural studies of artificial aptamer complexes and for design of ligands having higher binding specificity. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20971206
Volume :
7
Issue :
4
Database :
Complementary Index
Journal :
Synthetic & Systems Biotechnology
Publication Type :
Academic Journal
Accession number :
161091257
Full Text :
https://doi.org/10.1016/j.synbio.2022.07.006