Citation
Ibrahim, Zalikha and Tejo, Bimo Ario and Mohammad Latif, Muhammad Alif and Karjiban, Roghayeh Abedi and Salleh, Abu Bakar and Abdul Rahman, Mohd Basyaruddin
(2016)
In-silico identification of potential Protein Arginine Deiminase IV (PAD4) inhibitors.
Malaysian Journal of Analytical Sciences, 20 (6).
pp. 1269-1277.
ISSN 1394-2506
Abstract
Protein Arginine Deiminase IV (PAD4) is a promising target for treating rheumatoid arthritis. Here, an in-silico screening was performed using PAD4 crystal structure against National Cancer Institute Diversity Set III compounds. Results obtained from the docking studies showed that the compounds have high affinity towards the protein. Visual inspections of the top compounds indicated that they preferred to bind at the front door of the catalytic pocket instead of the back door. The current results from this screening could provide a basis for the development of new PAD4 inhibitors.
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Official URL or Download Paper: http://www.ukm.my/mjas/mjas2018/
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Additional Metadata
| Item Type: | Article |
|---|---|
| Subject: | Protein arginine deiminase IV; PAD4; Virtual screening; NCI diversity set; Structure-based |
| Divisions: | Faculty of Science |
| DOI Number: | https://doi.org/10.17576/mjas-2016-2006-05 |
| Publisher: | Malaysian Analytical Sciences Society |
| Depositing User: | Nurul Ainie Mokhtar |
| Date Deposited: | 30 Mar 2018 03:00 |
| Last Modified: | 30 Mar 2018 03:00 |
| Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.17576/mjas-2016-2006-05 |
| URI: | http://psasir.upm.edu.my/id/eprint/54579 |
| Statistic Details: | View Download Statistic |
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