ChemInform Abstract: Synthesis of 3′-(Ureido)adenosine Derivatives and Their High Binding Affinity at the Mutant A3 Adenosine Receptor

ChemInform ◽  
2008 ◽  
Vol 39 (29) ◽  
Author(s):  
Ae Yil Kim ◽  
Hea Ok Kim ◽  
Myoung Jung Kim ◽  
Moon Woo Chun ◽  
Kang Man Lee ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Adenosine Receptor ◽  
High Binding ◽  
A3 Adenosine Receptor ◽  
Adenosine Derivatives ◽  
High Binding Affinity

scholarly journals Synthesis of 3′-ureidoadenosines and their high binding affinity at the mutant A3 adenosine receptor

2005 ◽  
Vol 49 (1) ◽  
pp. 105-106 ◽  
Author(s):  
Ae Yil Kim ◽  
Hea Ok Kim ◽  
Myoung Jung Kim ◽  
Moon Woo Chun ◽  
Kang Man Lee ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Adenosine Receptor ◽  
High Binding ◽  
A3 Adenosine Receptor ◽  
High Binding Affinity

scholarly journals Design and Synthesis of 2,6-Disubstituted-4′-Selenoadenosine-5′-N,N-Dimethyluronamide Derivatives as Human A3 Adenosine Receptor Antagonists

2021 ◽  
Vol 14 (4) ◽  
pp. 363
Author(s):  
Hongseok Choi ◽  
Kenneth A. Jacobson ◽  
Jinha Yu ◽  
Lak Shin Jeong
Keyword(s):  
Binding Affinity ◽  
Adenosine Receptor ◽  
Functional Assay ◽  
Antagonist Activity ◽  
Methyl Group ◽  
Design And Synthesis ◽  
Selective Antagonists ◽  
A3 Adenosine Receptor ◽  
High Binding Affinity

A new series of 4′-selenoadenosine-5′-N,N-dimethyluronamide derivatives as highly potent and selective human A3 adenosine receptor (hA3AR) antagonists, is described. The highly selective A3AR agonists, 4′-selenoadenosine-5′-N-methyluronamides were successfully converted into selective antagonists by adding a second N-methyl group to the 5′-uronamide position. All the synthesized compounds showed medium to high binding affinity at the hA3AR. Among the synthesized compounds, 2-H-N6-3-iodobenzylamine derivative 9f exhibited the highest binding affinity at hA3AR. (Ki = 22.7 nM). The 2-H analogues generally showed better binding affinity than the 2-Cl analogues. The cAMP functional assay with 2-Cl-N6-3-iodobenzylamine derivative 9l demonstrated hA3AR antagonist activity. A molecular modelling study suggests an important role of the hydrogen of 5′-uronamide as an essential hydrogen bonding donor for hA3AR activation.

scholarly journals Herb-target virtual screening and network pharmacology for prediction of molecular mechanism of Danggui Beimu Kushen Wan for prostate cancer

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Hong Li ◽  
Andrew Hung ◽  
Angela Wei Hong Yang
Keyword(s):  
Prostate Cancer ◽  
Binding Affinity ◽  
Molecular Mechanisms ◽  
Biological Activities ◽  
Tight Binding ◽  
Experimental Studies ◽  
Network Pharmacology ◽  
High Morbidity ◽  
High Binding ◽  
High Binding Affinity

AbstractProstate cancer (PCa) is a cancer that occurs in the prostate with high morbidity and mortality. Danggui Beimu Kushen Wan (DBKW) is a classic formula for patients with difficult urination including PCa. This study aimed to investigate the molecular mechanisms of DBKW for PCa. We obtained DBKW compounds from our previous reviews. We identified potential targets for PCa from literature search, currently approved drugs and Open Targets database and filtered them by protein–protein interaction network analysis. We selected 26 targets to predict three cancer-related pathways. A total of 621 compounds were screened via molecular docking using PyRx and AutoDock Vina against 21 targets for PCa, producing 13041 docking results. The binding patterns and positions showed that a relatively small number of tight-binding compounds from DBKW were predicted to interact strongly and selectively with three targets. The top five high-binding-affinity compounds were selected to generate a network, indicating that compounds from all three herbs had high binding affinity against the 21 targets and may have potential biological activities with the targets. DBKW contains multi-targeting agents that could act on more than one pathway of PCa simultaneously. Further studies could focus on validating the computational results via experimental studies.

A fluorescent probe for butyrylcholinesterase activity in human serum based on a fluorophore with specific binding affinity for human serum albumin

2019 ◽  
Vol 55 (97) ◽  
pp. 14574-14577 ◽  
Author(s):  
Soyeon Yoo ◽  
Min Su Han
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Fluorescent Probe ◽  
Binding Affinity ◽  
Specific Binding ◽  
Turn On ◽  
High Binding ◽  
Butyrylcholinesterase Activity ◽  
High Binding Affinity

We report a novel turn-on sensing probe for the detection of butyrylcholinesterase activity in human serum using a fluorophore with high binding affinity for HSA.

LB50053: A 5-Hydroxytryptamine1A Agent with a High Binding Affinity and a Potency Evoking a K+ Current

Pharmacology ◽  
2002 ◽  
Vol 65 (4) ◽  
pp. 175-181
Author(s):  
Han-Seop Kim ◽  
Taesup Cho ◽  
Changho Lee ◽  
Hyun Joo ◽  
Seung Kim ◽  
...  
Keyword(s):  
Binding Affinity ◽  
High Binding ◽  
High Binding Affinity

scholarly journals Peptide-binding induced inhibition of chemokine CXCL12

RSC Advances ◽  
2017 ◽  
Vol 7 (34) ◽  
pp. 21298-21307
Author(s):  
Hongyang Duan ◽  
Ling Zhu ◽  
Jiaxi Peng ◽  
Mo Yang ◽  
Hanyi Xie ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Peptide Binding ◽  
Inhibitory Effect ◽  
High Binding ◽  
Significant Inhibitory Effect ◽  
Chemokine Cxcl12 ◽  
Cxcr4 Axis ◽  
High Binding Affinity

A designed peptide (W4) has a significant inhibitory effect on the CXCL12/CXCR4 axis by targeting CXCL12 with high binding affinity.

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