COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS
The present invention relates to compositions and methods for identifying odorant-odorant receptor interactions. In particular, the present invention relates to in silico methods for identifying odorant receptor-odorant interactions based on chemical and physical properties of odorant receptors and odorants.
1 . A method of identifying an odorant ligand for an odorant receptor, comprising:
a) comparing three or more amino acid property descriptors of an odorant receptor with three or more physicochemical properties of a plurality of odorants; and
b) identifying one or more odorant receptor for said odorant receptor based on said comparing.
2 . The method of claim 1 , wherein said physicochemical properties are selected from the group consisting of Harary H index, topological polar surface area using N, O polar contributions, leverage-weighted autocorrelation of lag 0/weighted by atomic polarizabilities, R autocorrelation of lag 6/weighted by atomic polarizabilities, topological polar surface area using N, O, S, P polar contributions, Radial Distribution Function—11.0/weighted by atomic masses, valence connectivity index chi-2, phenol/enol/carboxyl OH, R autocorrelation of lag 2/weighted by atomic Sanderson electronegativities, R maximal autocorrelation of lag 4/weighted by atomic masses, graph vertex complexity index, Geary autocorrelation—lag 1/weighted by atomic masses, Ha attached to C3(sp3)/C2(sp2)/C3(sp2)/C3(sp), molecular path count of order 04, leverage-weighted autocorrelation of lag 2/unweighted, hydrophilic factor, 2st component symmetry directional WHIM index/weighted by atomic van der Waals volumes, and R maximal index/weighted by atomic polarizabilities.
3 . The method of claim 2 , wherein said method comprises comparing all of said physiochemical properties.
4 . The method of claim 1 , wherein said amino acid property descriptors are selected from the group consisting of volume, composition and polarity.
5 . The method of claim 4 , wherein said amino acid property descriptors are compared at specific positions in an alignment of known odorant receptor sequences.
6 . The method of claim 1 , wherein said method is performed in silico.
7 . The method of claim 1 , further comprising the step of displaying the results of said comparing on a computer screen.
8 . The method of claim 1 , further comprising the step of screening odorants identified in said method using an vitro assay.
9 . A system for identifying an odorant ligand for an odorant receptor, comprising:
a computer program and computer software configured for comparing three or more amino acid property descriptors of an odorant receptor with three or more physicochemical properties of a plurality of odorants; and identifying one or more odorant receptor for said odorant receptor based on said comparing.
10 . The system of claim 9 , wherein said physicochemical properties are selected from the group consisting of Harary H index, topological polar surface area using N, O polar contributions, leverage-weighted autocorrelation of lag 0/weighted by atomic polarizabilities, R autocorrelation of lag 6/weighted by atomic polarizabilities, topological polar surface area using N, O, S, P polar contributions, Radial Distribution Function—11.0/weighted by atomic masses, valence connectivity index chi-2, phenol/enol/carboxyl OH, R autocorrelation of lag 2/weighted by atomic Sanderson electronegativities, R maximal autocorrelation of lag 4/weighted by atomic masses, graph vertex complexity index, Geary autocorrelation—lag 1/weighted by atomic masses, Ha attached to C3(sp3)/C2(sp2)/C3(sp2)/C3(sp), molecular path count of order 04, leverage-weighted autocorrelation of lag 2/unweighted, hydrophilic factor, 2st component symmetry directional WHIM index/weighted by atomic van der Waals volumes, and R maximal index/weighted by atomic polarizabilities.
11 . The system of claim 10 , wherein said system comprises comparing all of said physiochemical properties.
12 . The system of claim 9 , wherein said amino acid property descriptors are selected from the group consisting of volume, composition and polarity.
13 . The system of claim 12 , wherein said amino acid property descriptors are compared at specific positions in an alignment of known odorant receptor sequences.
14 . The system of claim 9 , wherein said computer program and computer processor are further configured for displaying the results of said comparing on a computer screen.
15 . The system of claim 9 , wherein said system is accessed by users within a web-based platform via a web browser across the Internet.
16 . The system of claim 9 , wherein said system is provided as a software package and used as a stand-alone system on a single computer.
17 . A method of identifying an odorant receptor for an odorant, comprising:
a) comparing three or more amino acid property descriptors of a plurality of odorant receptors with three or more physicochemical properties of an odorant; and
b) identifying one or more odorants receptors for said odorant based on said comparing.
18 . A system for identifying an odorant receptor for an odorant, comprising:
a computer program and computer software configured for three or more amino acid property descriptors of a plurality of odorant receptors with three or more physicochemical properties of an odorant; and identifying one or more odorants receptors for said odorant based on said comparing.