NDLI: In silico prediction of the drug overdose consequences at the heart electrophysiology level

Content Provider	IEEE Xplore Digital Library
Author	Polak, S. Wisniowska, B. Fijorek, K. Glinka, A. Polak, M. Mendyk, A.
Copyright Year	2012
Description	Author affiliation: Cracow University of Economics, Kraków, Poland (Fijorek, K.) \|\| Jagiellonian University Medical College, Kraków, Poland (Polak, S.; Wisniowska, B.; Glinka, A.; Polak, M.; Mendyk, A.)
Abstract	The aim of the study was to simulate the possible clinical situation of the drug overdose and to assess its electrophysiological consequences, and thus to move the M&S approach to the patient's bedside level. Cardiological consequences of citalopram overdose were simulated with use of the ToxComp system. Physiology of the 36-yo woman, 33 hours post suicidal ingestion, with high serum citalopram (477 ng/mL) and its metabolite desmethylcitalopram (123.2 ng/mL) concentration was simulated. Ionic current inhibition data were either taken from the literature or predicted with use of the extended QSAR models. Total ionic currents inhibition was simulated as the sum of inhibitions. Plasma ions concentrations and heart rate rhythm were taken from the clinical report (Tarabar 2008). QTc [ms] value with Fridericia correction was the endpoint. Four scenarios were tested assuming that either IKr current only or IKr+IKs currents are affected with various heart rates. The comparison of the observed vs. simulated QTcF values for four tested scenarios was as follows: (1) IKr/102 bpm — 524/469; (2) IKr/150 bpm — 515/511; (3) IKr+IKs/102 bpm — 524/487; (4) IKr+IKs/150 bpm — 515/524. ToxComp system predicted the electrophysiological consequences of citalopram overdose. Results indirectly suggest the role of the drug triggered multiple currents inhibition instead of dealing with hERG channel only.
Starting Page	889
Ending Page	892
File Size	194383
Page Count	4
File Format	PDF
ISBN	9781467320764
ISSN	2325887X
e-ISBN	9781467320771
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2012-09-09
Publisher Place	Poland
Access Restriction	Subscribed
Rights Holder	Creative Commons Attribution License 2.5 (CCAL)
Subject Keyword	Drugs Predictive models Object oriented modeling Heart Plasmas Mathematical model Biological system modeling
Content Type	Text
Resource Type	Article
Subject	Computer Science Cardiology and Cardiovascular Medicine

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1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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