Abstract：
:Epigallocatechin gallate, a flavonoid from Camellia sinensis possess various pharmacological activities such as anticancer, antimicrobial and antioxidant etc. Adenosine deaminase, (ADA), is a key enzyme involved in the purine metabolism, the inhibitors of which is being considered as highly promising candidate for the development of anti-proliferative and anti-inflammatory drugs. In this work we studied adenosine deaminase inhibitory activity of epigallocatechin gallate by using biophysical and computational methods. The enzyme inhibition study result indicated that epigallocatechin gallate possess strong inhibitory activity on ADA. ITC study revealed the energetics of binding. Also the binding is confirmed by using fluorescence spectroscopy. The structural details of binding are obtained from molecular docking and MD simulation studies.
journal_name
Comput Biol Chemjournal_title
Computational biology and chemistryauthors
K G A,C S S,J A,C Sdoi
10.1016/j.compbiolchem.2019.107111subject
Has Abstractpub_date
2019-12-01 00:00:00pages
107111eissn
1476-9271issn
1476-928Xpii
S1476-9271(18)30567-Xjournal_volume
83pub_type
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