Table 2.

The bunOBP-chemical cues interaction.

S. No	Compound Name	Glide Score (kcal/mol)	Total binding energy	H-bonds	Residues involved in Hydrogen bond	van der Waals interactions	Pi interactions
1	Oleic acid	−8.078	−103.251	2	Phe98, Glu99	Pro50, Leu51, Asn55, Ile73, Phe82, Gly84, Leu86, Ile96, Ile102, Leu104, Tyr118, Asn120, Val129	Cys53, Leu69, Phe71
2	p-Cresol	−8.029	−56.515	2	Asn55, Glu131	Thr34, Leu51, Phe71, Gly84, Leu104	Cys53, Leu69, Leu86, Ile96, Phe98, Ile102, Tyr118
3	1-Aminoanthracene	−7.392	−81.378	1	Asn55	Phe71, Phe82, Gly84, Leu86, Phe98, Asn120, Glu131	Leu51, Cys53, Leu69, Ile96, Ile102, Tyr118, Val129
4	Diphenylmethanone	−6.439	−70.707	—	—	Leu69, Phe71, Phe82, Gly84, Leu86, Phe98, Leu104, Asn120, Glu131	Cys53, Leu51, Ile96, Ile102, Tyr118
5	1-iodo 2-methyl undecane	−6.324	−67.785	—	—	Thr34, Cys53, Asn55, Ile58, Phe71, Leu86, Ile96, Phe98, Asn120, Glu131	Leu51, Leu69, Ile102, Phe116, Tyr118, Val129
6	3,ethyl-2-methyl hexane	−6.19	−58.023	—	—	Asn55, Leu104, Glu131	Leu51, Cys53, Leu69, Phe71, Leu86, Ile96, Phe98, Ile102, Tyr118, Val129
7	1-octen-3-ol	−5.706	−28.732	3	Asn55, Tyr118, Glu131	Leu69, Phe71, Leu86, Ile96, Phe98, Leu104, Asn120	Leu51, Cys53, Ile102
8	Farnesol	−5.534	−88.31	3	Asn55, Tyr118, Glu131	Lys44, Arg52, Cys53, Phe71, Leu86, Phe98, Asn120, Thr130, Ile164	Ala37, Ala39, Ile45, Leu51, Leu69, Ile96, Ile102, Leu104, Val129
9	Undecanal	−5.15	−58.602	2	Asn55, Glu131	Leu69, Phe71, Phe82, Leu86, Ile96, Phe98, Ile102, Leu104, Asn120, Val129	Leu51, Cys53, Tyr118
10	Pyridine	−4.321	−31.111	—	—	Leu51, Leu69, Phe71, Leu86, Leu104, Glu131	Cys53, Ile96, Phe98, Ile102, Tyr118
11	2-Isobutyl-3-Methoxypyrazine	−3.022	−65.811	1	Glu131	Asn55, Phe82, Gly84, Ile102, Val129	Leu51, Cys53, Leu69, Phe71, Leu86, Phe98, Leu104

The empirical values of molecular docking were retrieved by the best interactions based on Glide score, Total binding energy, and Hydrogen bond.