Aloe Vera as an Antagonist for TNF-Alpha: In-Silico Study

Authors : Deeksha Kaloni, Archana Tiwari, Sagarika Biswas

Volume/Issue : Volume 4 - 2019, Issue 10 - October

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Rheumatoid arthritis is a chronic inflammatory disease that affects multiple joints. Tumor necrosis factor (TNF-α) is believed to be the major culprit involved in the progression of inflammation. In the present study, we investigated the phytochemicals of Aloe vera as antagonist for TNF-α using in-silico approach. Firstly the 3D structure of human TNF-α (PDB ID: 2az5) and ligands were retrieved from RCSB PDB and Pubchem database respectively. The molecular docking was done using Hex 8.0.0 CUDA server followed by pharmacological analysis using SwissADME. The study revealed that Quercetin, Kampferol, Aloe-emodin, and Emodin have higher affinity for tumor necrosis factor (TNF-α) satisfying the pharamacological parameter. Thus, these phytochemicals have therapeutic prospective to be developed into drug for managing RA.

Keywords : Rheumatoid Arthritis, Aloe Vera, TNF-Α, Molecular Docking, Flavanoids, Anthraquinones, Pharmacology.


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