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Co-crystallized ligand based designing and synthesis of some heterocyclic derivatives of chalcone as “protein-tyrosine phosphatase 1B” inhibitors

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Title Co-crystallized ligand based designing and synthesis of some heterocyclic derivatives of chalcone as “protein-tyrosine phosphatase 1B” inhibitors
 
Creator Jain, Ankit
Jain, Dinesh K
Bhadoriya, Upendra
 
Subject Anti-hyperglycemic
Chalcone
Heterocycles
PTP1B
Insulin
Diabetes
 
Description 1028-1035
Protein tyrosine phosphatase 1B (PTP1B) is an important target for diabetes since inhibition of PTP1B offers therapeutic
benefits in insulin resistant diabetes. Unfortunately, no drugs are approved or available in market as PTP1B inhibitor and
finding of such type of anti-diabetic agents is still in progress. However, computational modeling, based on the interaction
between co-crystallized ligand and macromolecular receptor has presented some structural features required for PTPIB
inhibitory activity. Considering these structural features of co-crystallized ligand bound with 3D crystal structure of PTP1B
receptor we have designed some chalcones and their heterocyclic derivatives as PTP1B inhibitors. Preliminary substituted
chalcones have been investigated but only one phenyl ring of these derivatives shows interaction with PTP1B receptor in
molecular docking study. To overcome this problem, some heterocyclic derivatives of chalcone have been designed. These
heterocyclic derivatives show interactions similar to co-crystallized ligand, which means both terminal rings exhibit
interactions with macromolecular receptor in molecular docking study. Moreover, some of the synthesized heterocyclic
derivatives of chalcone show potent inhibitory activity when tested in vitro and compound AD-4 ((E)-3-(3-nitrophenyl)-1-
(pyridin-4-yl)prop-2-en-1-one) is observed as the most prominent inhibitory agent with 75.06% inhibition of PTP1B. Potent
derivative AD-4 also exhibits significant anti-hyperglycemic activity during in vivo evaluation in animal model.
 
Date 2024-10-23T09:54:08Z
2024-10-23T09:54:08Z
2024-10
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/64734
https://doi.org/10.56042/ijc.v63i10.12794
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.63(10) [October 2024]