| Title: | Evaluating the binding efficiency of pheromone binding protein with its natural ligand using molecular docking and fluorescence analysis |
| Author(s): | Ilayaraja R; Rajkumar R; Rajesh D; Muralidharan AR; Padmanabhan P; Archunan G; |
| Address: | "1] Centre for Pheromone Technology, Department of Animal Science, School of Life Sciences, Bharathidasan University, Tiruchirappalli - 620 024, Tamil Nadu, India [2]. 1] Institute of Medical Biology, A-STAR, Biopolis Drive, Singapore [2]. Centre for Pheromone Technology, Department of Animal Science, School of Life Sciences, Bharathidasan University, Tiruchirappalli - 620 024, Tamil Nadu, India. The Lee Kong Chian School of Medicine, Nanyang Technological University, Singapore - 637553" |
| ISSN/ISBN: | 2045-2322 (Electronic) 2045-2322 (Linking) |
| Abstract: | "Chemosignals play a crucial role in social and sexual communication among inter- and intra-species. Chemical cues are bound with protein that is present in the pheromones irrespective of sex are commonly called as pheromone binding protein (PBP). In rats, the pheromone compounds are bound with low molecular lipocalin protein alpha2u-globulin (alpha2u). We reported farnesol is a natural endogenous ligand (compound) present in rat preputial gland as a bound volatile compound. In the present study, an attempt has been made through computational method to evaluating the binding efficiency of alpha2u with the natural ligand (farnesol) and standard fluorescent molecule (2-naphthol). The docking analysis revealed that the binding energy of farnesol and 2-naphthol was almost equal and likely to share some binding pocket of protein. Further, to extrapolate the results generated through computational approach, the alpha2u protein was purified and subjected to fluorescence titration and binding assay. The results showed that the farnesol is replaced by 2-naphthol with high hydrophobicity of TYR120 in binding sites of alpha2u providing an acceptable dissociation constant indicating the binding efficiency of alpha2u. The obtained results are in corroboration with the data made through computational approach" |
| Keywords: | "Alpha-Globulins/*metabolism Animals Carrier Proteins/*metabolism Chromatography, Gel Farnesol/*metabolism Flow Cytometry Fluorescence Fluorescent Antibody Technique Male *Molecular Docking Simulation Naphthols/*metabolism Pheromones/*metabolism Rats Spect;" |
| Notes: | "MedlineIlayaraja, Renganathan Rajkumar, Ramalingam Rajesh, Durairaj Muralidharan, Arumugam Ramachandran Padmanabhan, Parasuraman Archunan, Govindaraju eng Evaluation Study Research Support, Non-U.S. Gov't England 2014/06/07 Sci Rep. 2014 Jun 6; 4:5201. doi: 10.1038/srep05201" |
