الفهرس 
Similarity ensemble approach (SEA)Only 14 pages are availabe for public view
 |  | from | 14 |  |  |
| | | from | 14 | | |
Abstract
This work has briefly discussed the different ways bioinformatics are helpful
in Pharmacy. Using of bioinformatics approaches begins early at drug target
discovery, passing through lead design and optimization via computer aided
drug design. Furthermore, bioinformatics is used in preclinical and clinical
phases in drug approval process.
Additionally, bioinformatics can be helpful in pharmaceutical topics after
drug approval. Two topics are discussed in this area: (1) The use of
bioinformatics in genetic-guided drug prescription; this is the
pharmacogenomics approach which is used to maximize drug benefits based
on patient’s genomic data, (2) The drug repurposing approach; bioinformatics
uses drug promiscuity to overcome the high cost of designing new drugs for
rare diseases. In this area, approved drugs that are reported to be promiscuous
are repositioned for the use in off-label clinical manifestation.
In practice, this work used some well reported bioinformatics
approaches to demystify the missing part in the mechanism that the
repurposed drug, Nitazoxanide, act as an anti-HCV. This problem was
computationally addressed by the use of chemical similarities, pharmacophore
mapping, docking, and computational affinity prediction approaches.
GSK3 showed the best computational evidences for being NTZ primary
cellular target. NTZ showed best approved drug similarity to GSK3
reference ligand TMU. GSK3 was predicted by SwissTarget prediction 3D
similarity tool. Also, GSK3 showed the best Z-score in PharMapper. When
used in FlexX and Hyde for prediction of potency and efficiency, TIZ showed
better potency than TMU and varying comparable LE to the reference ligands.