Record Details

Molecular interactions of some natural ligands to explore their mechanism of actions as PDE-4B and 4D inhibitors in psoriasis: A molecular docking study

NOPR - NISCAIR Online Periodicals Repository

View Archive Info
 
 
Field Value
 
Title Molecular interactions of some natural ligands to explore their mechanism of actions as PDE-4B and 4D inhibitors in psoriasis: A molecular docking study
 
Creator Agrawal, Anurag
Kulkarni, Giriraj T
Lakshmayya
 
Subject Autoimmune
Inflammation
Molecular interactions
Natural ligands
Phosphodiesterase
Psoriasis
 
Description 321-334
Psoriasis is an autoimmune and inflammatory disease, that significantly affects human well-being. The chances of
relapses of psoriasis are high even after steroidal therapy and other medicines. The proper treatment is unavailable due to a
lack of understanding of the pathophysiology of this disease. Phosphodiesterase enzyme subtypes (PDE-4B and PDE-4D)
have been implicated in the pathophysiology of psoriasis because this enzyme inhibitor elevates the level of C-Amp and
hence reduces the features of inflammation. Recent researches also demonstrated the role of the Phosphodiesterase enzyme
in psoriasis. Therefore, in this study, molecular docking analysis was carried out on twelve natural ligands that have been
proven to be anti-psoriatic candidates via preclinical studies via different animal models but their mechanism of action was
not explored yet. The chemical structures of the natural ligands were prepared using ChemSketch 2015 (Free version). The
AutoDock Tool 1.5.6 was employed for the molecular docking studies. The results indicated that all ligands interacted with
the targets in the active sites and Capsaicin and Hypericin inhibited PDE-4B and Gossypol inhibited PDE-4D enzymes,
respectively, via interacting with responsible amino acids of the targets and demonstrating significant binding energies.
 
Date 2024-05-16T06:26:15Z
2024-05-16T06:26:15Z
2024-05
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscpr.res.in/handle/123456789/63905
https://doi.org/10.56042/ijbb.v61i6.1102
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJBB Vol.61(06) [June 2024]