Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.toxlet.2005.11.017
Title: In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction
Authors: Ji, Z.L.
Wang, Y.
Yu, L.
Han, L.Y. 
Zheng, C.J. 
Chen, Y.Z. 
Keywords: ADRs
Adverse drug reaction
Drug safety evaluation
In silico
Toxicity
Issue Date: 1-Jul-2006
Citation: Ji, Z.L., Wang, Y., Yu, L., Han, L.Y., Zheng, C.J., Chen, Y.Z. (2006-07-01). In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction. Toxicology Letters 164 (2) : 104-112. ScholarBank@NUS Repository. https://doi.org/10.1016/j.toxlet.2005.11.017
Abstract: Adverse drug reaction (ADR) is a significant issue in drug development and post-market applications. Different experimental and computational approaches need to be explored for predicting ADRs due to the complexity of their molecular mechanisms. One approach for predicting ADRs of a drug is to search for its interaction with ADR-related proteins (ADRRPs). In this work, this approach is tested on 11 marketed anti-HIV drugs covering protease inhibitors (PIs), nucleoside reverse transcriptase inhibitors (NRTIs), and non-nucleoside reverse transcriptase inhibitors (NNRTIs). An in silico drug target search method, INVDOCK, is used for searching the ADRRPs of each of these drugs. The corresponding ADRs of the predicted ADRRPs of each of these drugs are compared to clinically observed ADRs reported in the literature. It is found that 86-89% of the INVDOCK predicted ADRs of these drugs are consistent with the literature reported ADRs, and about 67-100% of the literature-reported ADRs of these drugs to various degrees is agreed with INVDOCK predictions. These results suggest that it is feasible to explore in silico ADRRP search methods for facilitating drug toxicity prediction. © 2005 Elsevier Ireland Ltd. All rights reserved.
Source Title: Toxicology Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/106036
ISSN: 03784274
DOI: 10.1016/j.toxlet.2005.11.017
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

35
checked on Aug 14, 2018

WEB OF SCIENCETM
Citations

28
checked on Aug 14, 2018

Page view(s)

32
checked on Mar 11, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.