J. Golebiowski France Nice CNRS deNice deChimie Institut
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un NumeriNose nez Avec Jérôme Loic
Briand, CSGA INRA Dijon Golebiowski computationel Republic Deagu DGIST Brain
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INPHYNITY 2016
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J. Golebiowski 2
J. Golebiowski 3
J. Golebiowski IN THE VARIANTS SENSE
AND INVARIANTSAND
OF SMELL
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J. Golebiowski J. Golebiowski
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J. Golebiowski J. Golebiowski J. Golebiowski J. Golebiowski ~ Chemical 27.10
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molecules
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J. Golebiowski — science,measure smell. a youfind aIf areambitiousnew to youhave nocanof science anddifferences, Butuntilcantheirlikeness measure you rosesasafetida. upto manydifferentkinds smells, of is veryIt obviouswethat havevery between smellkinds andanother?of two Can youdifferencemeasurethe twiceanother?as strong Can youtell is smell just whetherone Did smell? ayou measureever theall from way the AlexanderBell, Graham
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J. Golebiowski
(spicy) ethyl (herbaceous) isopropyl (musk) Musk ketone (musk) Adrostenol - dimethylfuranone
- methylfuranone
of of dimension ~396. An odorant can bedescribed as avector
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J. Golebiowski chemistry are thuscompletelyknown, andthedifficulty liesonlyinthe fact that “The fundamental lawsnecessaryfor themathematicaltreatmentof[…]whole Paul Dirac application of theselawsleadsto equations thataretoo complextobesolved”
deorphanization of ORs Towards a computational -
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J. Golebiowski The computational microscope
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J. Golebiowski confidentiel
CSGA, INRA Dijon Numerinose
Y Data Y Data 100 200 300 400 500 100 200 300 400 500 600 0 0 1 1 VV EC OR5P3 EC VV EC OR5P3 EC 50 50 = - µM = - µM 50 50 = 544.3µM 10 = 329.1µM 10 (+)-carvone [µM] (-)-carvone [µM] hOR5P3 hOR5P3
100 100 in vitro 1000 1000
data
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J. Golebiowski Luciférase Luciférase 06/11/09
Normalized luciferase value Normalized luciferase value 10 20 30 40 50 60 10 15 20 25 10 12 14 10 12 14 0 0 5 0 2 4 6 8 0 2 4 6 8 1 1 1 1 EC50 = 34µM = EC50 10 10 10 10 Tetra decalactone [µM] decalactone Tetra Coffee difuran [µM] difuran Coffee (+) carvone [µM] (+) carvone 1-octanol [µM] 1-octanol 100 100 100 100
1000 1000 1000 1000 10 12 14 10 15 20 25 10 12 14 10 20 30 40 0 2 4 6 8 0 5 0 2 4 6 8 0 1 1 1 1 10 10 10 Butyl butyryl lactate [µM] lactate butyryl Butyl 10 Butyl formate [µM] Butyl (-) carvone [µM] carvone (-) Coumarine [µM] Coumarine 100 100 100 100 hOR5P3 (Normalized luciferase value) 1000 1000 1000 1000 10 12 14 10 12 14 10 12 14 10 20 30 40 50 0 2 4 6 8 0 2 4 6 8 0 2 4 6 8 0 1 1 1 1 EC50 = 47µM = EC50 trans, trans-2,4-undecadienal [µM] trans-2,4-undecadienal trans, 10 10 10 10 Quinoline [µM] Quinoline Benzene [µM] Benzene Eugenol [µM] Eugenol 100 100 100 100 1000 1000 1000 1000 10 12 14 10 12 14 10 12 14 10 15 0 2 4 6 8 0 2 4 6 8 0 2 4 6 8 0 5 0.1 1 1 1 hOR5P3 10 10 10 1 Cis-3-hexen-1-ol [µM] Cis-3-hexen-1-ol Androstenone [µM] Androstenone Celery ketone [µM] ketone Celery Citral [µM] Citral 100 100 100 10 1000 1000 1000 100
J. Golebiowski biomimetic computational Towards nose
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J. Golebiowski OR2T27 OR10R2 OR2T29 OR2T33 OR2M4 OR8B12 OR2V1 OR8B4 OR8U9 OR8B3 OR8D4 OR52W1 OR1D5 OR8K1 OR9G4 OR5D3 OR52N4 OR5B17 OR5B3 OR13G1 OR52N1 OR52A1 OR52K2 OR3A2
OR51V1 OR1J4
OR7A5 OR51D1
OR5C1 OR5AS1
OR51F2 (
OR51G2 -
OR6V1 )
OR2B11 OR51A4 -
OR11H4 OR52B4 Carvone Carvone Activation Profile
OR52B2 OR11H12
OR5A2 OR51B4
OR56B1
O OR6T1
OR56A5 OR6S1
OR56A1 OR1M1
0,5 1,5 OR13C5
0 1 2
OR6A2 OR14A2 OR11L1 OR5AK3
OR8H2 OR6F1 OR6C76 OR6K6 OR11H6
OR10A5 OR9Q2
OR2L8
OR10H3 OR2L5
OR10H2 OR7G1
OR2A14
OR2AG1 OR10W1 OR2G3
OR6B1 OR10P1 OR2AK2
OR13D1 OR2W3
OR13C2
OR1A1 OR2F2
OR2J3 OR5T2
OR1K1 OR5K1 OR1B1
OR5H14 OR1L3
OR10G4
OR10S1 OR4D10 OR1E2 OR4D5 OR4K2 OR4F5
OR4F21 OR4N2 OR4K13 OR4K17
OR2M3 OR2M2 OR2T5 OR8G1 OR2T1 OR14C36 OR2V2 OR8G2 OR5M3 OR2T8 OR8B8 OR7D4 OR5B12 OR8J1 OR8K3 OR52L2 OR5B21 OR5AU1 OR52J3 OR52N2 OR7A10 OR52A5 OR52E6
OR1C1
OR51Q1
OR11A1 OR1J2
OR51E2
OR51L1 OR6B2
(+)
OR6Y1
OR51I1
OR51A7
OR9A2
OR52B6 - OR2C1
Carvone Carvone Activation Profile OR52H1
OR1I1
OR6Q1
OR11H1 OR52I1
OR51E1
OR56B4 OR9A4
OR10Q1
O OR56A4
OR2D3
0,5 1,5
0 1 2
OR10K1 OR5AX1 OR6C3 OR14J1 OR6C1 OR7D2 OR6C70 OR1S1 OR6N2 OR10A6
OR9Q1
OR7E24
OR10H4
OR2L13
OR6C4 OR7G2
OR2A5
OR2AG2
OR1J1 OR10A4
OR7A17 OR2C3
OR2W1 OR2K2
OR2AE1
OR13C9
OR5P3 OR2H1
OR4C15 OR13J1
OR1L4 OR5K2
OR10G3 OR5H15
OR1L1 OR5K3
OR12D2 OR4D1
OR4E2 OR4D9
OR4C3 OR4M2 OR4F3
OR4F17 OR4K14 OR4N5
J. Golebiowski OR2T27 OR10R2 OR2T29 OR2T33 OR2M4 OR2V1 OR8B12 OR8B4 OR8U9 OR8B3 OR8D4 OR52W1 OR1D5 OR8K1 OR9G4 OR5D3 OR52N4 OR5B17 OR5B3 OR13G1 OR52N1 OR52A1 OR3A2 OR52K2
OR51V1 OR1J4
OR7A5 OR51D1
OR5C1
OR5AS1
OR51F2 (
OR51G2
- OR6V1 )
OR2B11 OR51A4 -
OR11H4 OR52B4 Carvone Activation Profile
OR52B2 OR11H12
OR5A2 OR51B4
OR56B1 OR6T1
OR56A5 OR6S1
OR56A1 OR1M1
0,5 1,5 OR13C5
0 1 2 O
OR6A2 OR14A2 OR11L1 OR5AK3
OR8H2 OR6F1 OR6C76 OR6K6 OR11H6
OR10A5 OR9Q2
OR2L8
OR10H3
OR2L5
OR10H2 OR7G1
OR2A14
OR2AG1 OR10W1 OR2G3
OR6B1 OR10P1 OR2AK2
OR13D1 OR2W3
OR13C2
OR1A1 OR2F2
OR2J3 OR5T2
OR1K1 OR5K1 OR1B1
OR5H14
OR1L3 OR10G4
OR10S1 OR4D10 OR1E2 OR4D5 OR4K2 OR4F5
OR4F21 OR4N2 OR4K13 OR4K17
OR2T27 OR10R2 OR2T29 OR2T33 OR2M4 OR8B12 OR2V1 OR8B4 OR8U9 OR8B3 OR8D4 OR52W1 OR1D5 OR8K1 OR9G4 OR5D3 OR52N4 OR5B17 OR5B3 OR13G1 OR52N1 OR52A1 OR52K2 OR3A2
OR51V1
OR1J4
OR7A5 OR51D1
OR5C1 OR5AS1 ( OR51F2
-
OR51G2 )
OR6V1 OR2B11 OR51A4 -
Menthone
OR11H4 OR52B4
OR52B2 OR11H12
OR5A2 OR51B4
OR56B1
OR6T1 OR56A5
OR6S1 OR56A1
OR1M1
0,5 1,5 OR13C5
0 1 2
Activation Activation Profile
O OR6A2 OR14A2 OR11L1 OR5AK3
OR8H2 OR6F1 OR6C76 OR6K6 OR11H6
OR10A5 OR9Q2 OR2L8
OR10H3
OR2L5
OR10H2 OR7G1
OR2A14 OR2AG1
OR10W1 OR2G3
OR6B1
OR10P1 OR2AK2 OR13D1
OR2W3 OR13C2
OR1A1
OR2F2
OR2J3 OR5T2 OR1K1 OR5K1
OR1B1 OR5H14
OR1L3 OR10G4
OR10S1
OR4D10
OR1E2 OR4D5 OR4K2 OR4F5 OR4F21 OR4N2 OR4K13 OR4K17
J. Golebiowski • https://numerinose.wordpress.com
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