Prediction of the ligands having the inhibitory activity against the HCV non-structural protein 5B polymerase
Journal Title: Asian Pacific Journal of Tropical Disease - Year 2015, Vol 5, Issue 8
Abstract
Objective: To find similar compounds of rhodanine inhibitors of HCV non-structural protein 5B (NS5B) through exploring the PubChem database. Methods: We used the data mining of these ligands and we studied molecular docking of these ligands with the enzyme HCV NS5B for knowing inhibitory activity. We used the the Knime software for the data mining and the USCF Chimera and Molecular Operating Environment for study the molecular docking. Results: As a result, the discovery was two new inhibitors of NS5B HCV, namely CID 211702 and CID 13752. Conclusions: Two new ligands, CID 211702 and CID 13752, were discovered for the inhibition of the HCV and can be used to invent new medicines against the cancerous diseases.
Authors and Affiliations
Keywords
Related Articles
- EP ID EP228117
- DOI 10.1016/S2222-1808(15)60906-9
- Views 86
- Downloads 0
Soil contamination with Toxocara spp. eggs in the public parks of Isfahan City, Central Iran
Objective: To evaluate the contamination rate of the public parks of Isfahan city with Toxocara spp. eggs. Methods: A total of 140 soil samples were collected from 28 public parks of Isfahan City, Central Iran, during th...
Relaxation effect of marmin on guinea pig tracheal smooth muscle via NO-independent mechanisms
Objective: To investigate the relaxation mechanims of marmin on epithelium of guinea pig isolated trachea smooth muscle (TSM). Methods: The study was conducted using in vitro isolated-trachea experimental. The guinea pig...
Rapid confirmation of drug susceptibility in Mycobacterium tuberculosis using MPT 64 Ag based test
Objective: To evaluate the possible use of MPT64 based rapid test to detect multi-drug resistant Mycobacterium tuberculosis (M. tuberculosis) in antibiotic broth dilution cultures. Methods: Twenty five isolates of M. tub...
First report of occurrence of Triatoma williami Galv ão, Souza e Lima, 1965 naturally infected with Trypanosoma cruzi Chagas, 1909 in the State of Mato Grosso, Brazil
Objective: To identify and report the occurrence of Trypanosoma cruzi (T. cruzi) in naturally infected Triatoma williami (T. williami) (Hemiptera, Reduviidae, Triatominae) in the state of Mato Grosso, Brazil. Methods: Th...
A study of Helicobacter pylori infection, dietary pattern and habits in patients with gastric cancer in South India
Objective: To determine the association of Helicobacter pylori (H. pylori) infection, dietary pattern and habits with gastric cancer in populations where consumption of smoked and salted meat is not high. Methods: A tota...