In Silico and 3D QSAR Studies of Natural Based Derivatives as Xanthine Oxidase Inhibitors.
Anthraquinones
/ chemistry
Biological Products
/ antagonists & inhibitors
Coenzymes
/ chemistry
Computer Simulation
Computer-Aided Design
Drug Design
Enzyme Inhibitors
/ chemistry
Flavin-Adenine Dinucleotide
/ chemistry
Flavonoids
/ chemistry
Iron-Sulfur Proteins
/ chemistry
Metalloproteins
/ chemistry
Molecular Docking Simulation
Molybdenum Cofactors
Protein Conformation
Pteridines
/ chemistry
Quantitative Structure-Activity Relationship
Xanthine Oxidase
/ antagonists & inhibitors
Xanthones
/ chemistry
3D QSAR
CADD
Flavonoids
In silico docking
Natural derivatives
Xanthine oxidase.
Journal
Current topics in medicinal chemistry
ISSN: 1873-4294
Titre abrégé: Curr Top Med Chem
Pays: United Arab Emirates
ID NLM: 101119673
Informations de publication
Date de publication:
2019
2019
Historique:
received:
21
09
2018
revised:
23
11
2018
accepted:
27
01
2019
pubmed:
8
2
2019
medline:
30
4
2019
entrez:
8
2
2019
Statut:
ppublish
Résumé
A large number of disorders and their symptoms emerge from deficiency or overproduction of specific metabolites has drawn the attention for the discovery of new therapeutic agents for the treatment of disorders. Various approaches such as computational drug design have provided the new methodology for the selection and evaluation of target protein and the lead compound mechanistically. For instance, the overproduction of xanthine oxidase causes the accumulation of uric acid which can prompt gout. In the present study we critically discussed the various techniques such as 3-D QSAR and molecular docking for the study of the natural based xanthine oxidase inhibitors with their mechanistic insight into the interaction of xanthine oxidase and various natural leads. The computational studies of deferent natural compounds were discussed as a result the flavonoids, anthraquinones, xanthones shown the remarkable inhibitory potential for xanthine oxidase inhibition moreover the flavonoids such as hesperidin and rutin were found as promising candidates for further exploration.
Sections du résumé
BACKGROUND
BACKGROUND
A large number of disorders and their symptoms emerge from deficiency or overproduction of specific metabolites has drawn the attention for the discovery of new therapeutic agents for the treatment of disorders. Various approaches such as computational drug design have provided the new methodology for the selection and evaluation of target protein and the lead compound mechanistically. For instance, the overproduction of xanthine oxidase causes the accumulation of uric acid which can prompt gout.
OBJECTIVE
OBJECTIVE
In the present study we critically discussed the various techniques such as 3-D QSAR and molecular docking for the study of the natural based xanthine oxidase inhibitors with their mechanistic insight into the interaction of xanthine oxidase and various natural leads.
CONCLUSION
CONCLUSIONS
The computational studies of deferent natural compounds were discussed as a result the flavonoids, anthraquinones, xanthones shown the remarkable inhibitory potential for xanthine oxidase inhibition moreover the flavonoids such as hesperidin and rutin were found as promising candidates for further exploration.
Identifiants
pubmed: 30727896
pii: CTMC-EPUB-96381
doi: 10.2174/1568026619666190206122640
doi:
Substances chimiques
Anthraquinones
0
Biological Products
0
Coenzymes
0
Enzyme Inhibitors
0
Flavonoids
0
Iron-Sulfur Proteins
0
Metalloproteins
0
Molybdenum Cofactors
0
Pteridines
0
Xanthones
0
Flavin-Adenine Dinucleotide
146-14-5
molybdenum cofactor
ATN6EG42UQ
Xanthine Oxidase
EC 1.17.3.2
Types de publication
Journal Article
Review
Langues
eng
Sous-ensembles de citation
IM
Pagination
123-138Informations de copyright
Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.