Competitive docking model for prediction of the human nicotinic acetylcholine receptor α7 binding of tobacco constituents.

ABSTRACT: The detrimental health effects associated with tobacco use constitute a major public health concern. The addiction associated with nicotine found in tobacco products has led to difficulty in quitting among users. Nicotinic acetylcholine receptors (nAChRs) are the targets of nicotine and are responsible for addiction to tobacco products. However, it is unknown if the other >8000 tobacco constituents are addictive. Since it is time-consuming and costly to experimentally assess addictive potential of such larger number of chemicals, computationally predicting human nAChRs binding is important for in silico evaluation of addiction potential of tobacco constituents and needs structures of human nAChRs. Therefore, we constructed three-dimensional structures of the ligand binding domain of human

SUBMITTER: Ng HW 

PROVIDER: S-EPMC5908294 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature