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Inhibitory activity of hibifolin on adenosine deaminase- experimental and molecular modeling study.

Abstract：

:Adenosine deaminase (ADA) is an enzyme involved in purine metabolism. ADA converts adenosine to inosine and liberates ammonia. Because of their critical role in the differentiation and maturation of cells, the regulation of ADA activity is considered as a potential therapeutic approach to prevent malignant and inflammatory disorders. In the present study, the inhibitory activity of a plant flavonoid, hibifolin on ADA is investigated using enzyme kinetic assay and isothermal titration calorimetry. The inhibitory constant of hibifolin was found to be 49.92μM±3.98 and the mode of binding was reversible. Isothermal titration calorimetry showed that the compound binds ADA with binding energy of -7.21Kcal/mol. The in silico modeling and docking studies showed that the bound ligand is stabilized by hydrogen bonds with active site residues of the enzyme. The study reveals that hibifolin can act as a potential inhibitor of ADA.

journal_name

Comput Biol Chem

journal_title

Computational biology and chemistry

authors

Arun KG,Sharanya CS,Sandeep PM,Sadasivan C

doi

10.1016/j.compbiolchem.2016.08.005

subject

Has Abstract

pub_date

2016-10-01 00:00:00

pages

353-358

eissn

1476-9271

issn

1476-928X

pii

S1476-9271(16)30002-0

journal_volume

64

pub_type

杂志文章

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