Integracides: Tetracyclic Triterpenoids from Fusarium sp.-Their 5-Lipoxygenase Inhibitory Potential and Structure-Activity Relation Using In Vitro and Molecular Docking Studies

Inflammation is a complicated disorder that is produced as a result of consecutive processes. 5-LOX (5-lipoxygenase) is accountable for various inflammation mediators and leukotrienes synthesis, and its inhibition is the target of anti-inflammation therapeutics. Fungi have acquired enormous attentiv...

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Bibliographic Details
Published in:Life (Basel, Switzerland) Switzerland), 2022-12, Vol.12 (12), p.2095
Main Authors: Khayat, Maan T, Mohammad, Khadijah A, Mohamed, Gamal A, Safo, Martin K, Ibrahim, Sabrin R M
Format: Article
Language:English
Subjects:
5-lipoxygenase
Arachidonate 5-lipoxygenase
Crystal structure
drug discovery
Enzymes
Fungi
Fusarium
Fusarium sp
Inflammation
integracides
Leukotrienes
Ligands
Lipoxygenase
Liquid oxygen
Metabolites
Molecular docking
Proteins
Triterpenoids
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Summary:Inflammation is a complicated disorder that is produced as a result of consecutive processes. 5-LOX (5-lipoxygenase) is accountable for various inflammation mediators and leukotrienes synthesis, and its inhibition is the target of anti-inflammation therapeutics. Fungi have acquired enormous attentiveness because of their capability to biosynthesize novel bio-metabolites that reveal diversified bio-activities. A new tetracyclic triterpenoid, integracide L ( ), along with integracides B ( ) and F ( ), were separated from -associated sp. (FS No. MAR2014). Their structures were verified utilizing varied spectral analyses. The isolated metabolites ( - ), alongside the earlier reported integracides G ( ), H ( ), and J ( ), were inspected for 5-LOX inhibition capacity. Interestingly, - possessed marked 5-LOX inhibition potentials with IC s ranging from 1.18 to 3.97 μM compared to zileuton (IC 1.17 µM). Additionally, molecular docking was executed to examine the interaction among these metabolites and 5-LOX, as well as to validate the in vitro findings. The docking study revealed their inhibitory activity interactions in the binding pocket. These findings highlighted the potential of integracides as lead metabolites for anti-inflammation drug discovery.
ISSN:2075-1729
2075-1729
DOI:10.3390/life12122095