Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation

Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation

Tumor necrosis factor-α (TNF-α) is a drug target in rheumatoid arthritis and several other auto-immune disorders. TNF-α binds with TNF receptors (TNFR), located on the surface of several immunological cells to exert its effect. Hence, the use of inhibitors that can hinder the complex formation of TN...

Full description

Bibliographic Details
Main Authors: Sobia Ahsan Halim, Almas Gul Sikandari, Ajmal Khan, Abdul Wadood, Muhammad Qaiser Fatmi, René Csuk, Ahmed Al-Harrasi
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Biomolecules
Subjects:
tumor necrosis factor–α
descriptor analysis
2D-similarity searching
pharmacophore modelling
molecular docking
absorption, distribution, metabolism, excretion and toxicity (ADMET) prediction
Online Access:https://www.mdpi.com/2218-273X/11/2/329

Internet

https://www.mdpi.com/2218-273X/11/2/329

Similar Items