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Regul Toxicol Pharmacol. 2018 Jun;95:8-16. doi: 10.1016/j.yrtph.2018.03.002. Epub 2018 Mar 2.

In-silico study of toxicokinetics and disease association of chemicals present in smokeless tobacco products.

Author information

1
Data Management Laboratory, National Institute of Cancer Prevention and Research, Noida, Uttar Pradesh 201301, India.
2
Informatics, Systems and Research Management, Indian Council of Medical Research, New Delhi 110029, India.
3
WHO FCTC Global Knowledge Hub of Smokeless Tobacco, National Institute of Cancer Prevention and Research, Noida, Uttar Pradesh 201301, India.
4
Informatics, Systems and Research Management, Indian Council of Medical Research, New Delhi 110029, India. Electronic address: hsingh@bmi.icmr.org.in.
5
WHO FCTC Global Knowledge Hub of Smokeless Tobacco, National Institute of Cancer Prevention and Research, Noida, Uttar Pradesh 201301, India; National Institute of Cancer Prevention and Research, Noida, Uttar Pradesh 201301, India.

Abstract

Smokeless tobacco (SLT) products are consumed by millions of people in over 130 countries around the world. Consumption of SLT has been estimated to cause a number of diseases accounting to more than 0.65 million deaths per year. There is sufficient epidemiological evidence on the association of SLT products with nicotine addiction, cancers of oral cavity and digestive systems but there is a lack of understanding of the role of toxic chemicals in these diseases. We provide the first comprehensive in-silico analysis of chemical compounds present in different SLT products used worldwide. Many of these compounds are found to have good absorption, solubility and permeability along with mutagenic and toxic properties. They are also found to target more than 350 human proteins involved in a plethora of human biological processes and pathways. Along with all the previously known diseases, the present study has identified the association of compounds of SLT products with a number of unknown diseases like neurodegenerative, immune and cardiac diseases (Left ventricular non compaction, dilated cardiomyopathy etc). These findings indicate far-reaching impact of SLT products on human health than already known which needs further validations using epidemiological, in-vitro and in-vivo methodologies. Thus, this study will provide one stop information for the policy makers in development of regulatory policies on toxic contents of SLT products.

KEYWORDS:

ADMET; Carcinogen; Chemical compounds; Pathway; Regulation; Smokeless tobacco; Toxicity; Toxicokinetics

PMID:
29505798
DOI:
10.1016/j.yrtph.2018.03.002
[Indexed for MEDLINE]

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