Ligand-based virtual screening for the discovery of inhibitors for protein arginine deiminase type 4 (PAD4)

• Main Authors: Teo, Chian Ying, Abdul Rahman, Mohd Basyaruddin, Leow, Adam Thean Chor, Salleh, Abu Bakar, Ballester, Pedro J., Tejo, Bimo Ario
• Format: Article
• Language: English
• Published: OMICS International 2013
• Online Access: http://psasir.upm.edu.my/id/eprint/28103/1/ligandbased-virtual-screening-for-the-discovery-of-inhibitors-for-protein-arginine-deiminase-type-pad-2153-0769-3-118.pdf; http://psasir.upm.edu.my/id/eprint/28103/; http://www.omicsonline.org/ligandbased-virtual-screening-for-the-discovery-of-inhibitors-for-protein-arginine-deiminase-type-pad-2153-0769-3-118.php?aid=19210
• Institution: Universiti Putra Malaysia

Protein Arginine Deiminase type 4 (PAD4) is a new therapeutic target for the treatment of rheumatoid arthritis. In this study, ligand-based virtual screening with the integration with drug repurposing strategy was applied to the discovery of PAD4 inhibitors. Ultrafast Shape Recognition (USR) was use...