Title

Insights from the Molecular modeling, docking analysis of illicit drugs and Bomb Compounds with Honey Bee Odorant Binding Proteins (OBPs)

Authors

Kulanthaivel Langeswaran¹*, Jeyakanthan Jeyaraman¹, Richard Mariadasse¹, Saravanan
Soorangkattan²

Affiliation

¹Department of Bioinformatics, Alagappa University, Karaikudi-630 003;

²Department of Botany, Alagappa University, Karaikudi – 630 003;

Email

dr.langeswaran@gmail.com;

Article Type

Hypothesis

Date

Received March 3, 2018; Revised April 19, 2018; Accepted April 20, 2018; Published May 31, 2018

Analysis of honeybee PBPs is of interest in the development of Biosensor applications. We described the predicted binding of 19 such compounds with 43-honey bee OBPs using molecular modeling, docking and phylogenetic analysis. Therefore, training the honeybees using preferred compounds formulate the bees to identify the illicit drugs and bomb compounds. Consequently, high docking score produced complex such OBP16-N-Phenyl-2-Napthalamine (-12.25k/mol), 3BJH-Crack Cocaine (-11.75k/mol), OBP10-Methadone (-11.71k/mol), 1TUJ-Dronobinal Cannabis (-11.66k/mol), OBP13-Plasticizer (-11.27k/mol) and OBP24-Ecstasy (-10.89 k/mol) can be used to identify the compounds using biosensor application. The chemical reaction of the compounds for olfactory sensory was analyzed using DFT (Density Functional Theory) studies. Some of these compounds show high binding OBPs across distant phylogeny.

Keywords

Biosensor, Docking, DFT, Honey Bee, Illicit drugs, OBPs, olfactory sensory and Phylogenetic tree

Citation

Langeswaran et al. Bioinformation 14(5): 219-231 (2018)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.