ES2497441T3 - Péptidos inmunomoduladores catiónicos pequeños - Google Patents
Péptidos inmunomoduladores catiónicos pequeños Download PDFInfo
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- ES2497441T3 ES2497441T3 ES07800481.9T ES07800481T ES2497441T3 ES 2497441 T3 ES2497441 T3 ES 2497441T3 ES 07800481 T ES07800481 T ES 07800481T ES 2497441 T3 ES2497441 T3 ES 2497441T3
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- 108090000765 processed proteins & peptides Proteins 0.000 title abstract description 9
- 230000002519 immonomodulatory effect Effects 0.000 title abstract 2
- 102000004196 processed proteins & peptides Human genes 0.000 title description 5
- 125000002091 cationic group Chemical group 0.000 title description 2
- 125000003275 alpha amino acid group Chemical group 0.000 abstract 2
- FWMNVWWHGCHHJJ-SKKKGAJSSA-N 4-amino-1-[(2r)-6-amino-2-[[(2r)-2-[[(2r)-2-[[(2r)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid Chemical compound C([C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O)NC(=O)[C@H](N)CC=1C=CC=CC=1)C1=CC=CC=C1 FWMNVWWHGCHHJJ-SKKKGAJSSA-N 0.000 abstract 1
- 108010064508 innate defense regulating peptide 1018 Proteins 0.000 abstract 1
- 235000019589 hardness Nutrition 0.000 description 12
- 230000001939 inductive effect Effects 0.000 description 11
- 238000004617 QSAR study Methods 0.000 description 7
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 6
- 230000000694 effects Effects 0.000 description 5
- 230000000845 anti-microbial effect Effects 0.000 description 3
- 238000013528 artificial neural network Methods 0.000 description 3
- 229910052739 hydrogen Inorganic materials 0.000 description 3
- 239000001257 hydrogen Substances 0.000 description 3
- 238000013515 script Methods 0.000 description 3
- KBPLFHHGFOOTCA-UHFFFAOYSA-N 1-Octanol Chemical compound CCCCCCCCO KBPLFHHGFOOTCA-UHFFFAOYSA-N 0.000 description 2
- 239000002253 acid Substances 0.000 description 2
- 230000003013 cytotoxicity Effects 0.000 description 2
- 231100000135 cytotoxicity Toxicity 0.000 description 2
- 238000000034 method Methods 0.000 description 2
- 239000000126 substance Substances 0.000 description 2
- 125000001424 substituent group Chemical group 0.000 description 2
- 238000012360 testing method Methods 0.000 description 2
- 101000854908 Homo sapiens WD repeat-containing protein 11 Proteins 0.000 description 1
- 102100020705 WD repeat-containing protein 11 Human genes 0.000 description 1
- 238000004422 calculation algorithm Methods 0.000 description 1
- 150000001875 compounds Chemical class 0.000 description 1
- 230000002209 hydrophobic effect Effects 0.000 description 1
- 238000011534 incubation Methods 0.000 description 1
- 238000005192 partition Methods 0.000 description 1
- 230000003335 steric effect Effects 0.000 description 1
- 230000003442 weekly effect Effects 0.000 description 1
Classifications
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K39/00—Medicinal preparations containing antigens or antibodies
-
- A—HUMAN NECESSITIES
- A01—AGRICULTURE; FORESTRY; ANIMAL HUSBANDRY; HUNTING; TRAPPING; FISHING
- A01N—PRESERVATION OF BODIES OF HUMANS OR ANIMALS OR PLANTS OR PARTS THEREOF; BIOCIDES, e.g. AS DISINFECTANTS, AS PESTICIDES OR AS HERBICIDES; PEST REPELLANTS OR ATTRACTANTS; PLANT GROWTH REGULATORS
- A01N37/00—Biocides, pest repellants or attractants, or plant growth regulators containing organic compounds containing a carbon atom having three bonds to hetero atoms with at the most two bonds to halogen, e.g. carboxylic acids
- A01N37/44—Biocides, pest repellants or attractants, or plant growth regulators containing organic compounds containing a carbon atom having three bonds to hetero atoms with at the most two bonds to halogen, e.g. carboxylic acids containing at least one carboxylic group or a thio analogue, or a derivative thereof, and a nitrogen atom attached to the same carbon skeleton by a single or double bond, this nitrogen atom not being a member of a derivative or of a thio analogue of a carboxylic group, e.g. amino-carboxylic acids
- A01N37/46—N-acyl derivatives
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K39/00—Medicinal preparations containing antigens or antibodies
- A61K39/0005—Vertebrate antigens
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K45/00—Medicinal preparations containing active ingredients not provided for in groups A61K31/00 - A61K41/00
- A61K45/06—Mixtures of active ingredients without chemical characterisation, e.g. antiphlogistics and cardiaca
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P29/00—Non-central analgesic, antipyretic or antiinflammatory agents, e.g. antirheumatic agents; Non-steroidal antiinflammatory drugs [NSAID]
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P31/00—Antiinfectives, i.e. antibiotics, antiseptics, chemotherapeutics
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P37/00—Drugs for immunological or allergic disorders
- A61P37/02—Immunomodulators
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P37/00—Drugs for immunological or allergic disorders
- A61P37/02—Immunomodulators
- A61P37/04—Immunostimulants
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61P—SPECIFIC THERAPEUTIC ACTIVITY OF CHEMICAL COMPOUNDS OR MEDICINAL PREPARATIONS
- A61P37/00—Drugs for immunological or allergic disorders
- A61P37/02—Immunomodulators
- A61P37/06—Immunosuppressants, e.g. drugs for graft rejection
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K14/00—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof
- C07K14/435—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from animals; from humans
- C07K14/46—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from animals; from humans from vertebrates
- C07K14/47—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from animals; from humans from vertebrates from mammals
- C07K14/4701—Peptides having more than 20 amino acids; Gastrins; Somatostatins; Melanotropins; Derivatives thereof from animals; from humans from vertebrates from mammals not used
- C07K14/4723—Cationic antimicrobial peptides, e.g. defensins
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K7/00—Peptides having 5 to 20 amino acids in a fully defined sequence; Derivatives thereof
- C07K7/04—Linear peptides containing only normal peptide links
- C07K7/06—Linear peptides containing only normal peptide links having 5 to 11 amino acids
-
- C—CHEMISTRY; METALLURGY
- C07—ORGANIC CHEMISTRY
- C07K—PEPTIDES
- C07K7/00—Peptides having 5 to 20 amino acids in a fully defined sequence; Derivatives thereof
- C07K7/04—Linear peptides containing only normal peptide links
- C07K7/08—Linear peptides containing only normal peptide links having 12 to 20 amino acids
-
- A—HUMAN NECESSITIES
- A61—MEDICAL OR VETERINARY SCIENCE; HYGIENE
- A61K—PREPARATIONS FOR MEDICAL, DENTAL OR TOILETRY PURPOSES
- A61K38/00—Medicinal preparations containing peptides
-
- Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
- Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
- Y02A—TECHNOLOGIES FOR ADAPTATION TO CLIMATE CHANGE
- Y02A50/00—TECHNOLOGIES FOR ADAPTATION TO CLIMATE CHANGE in human health protection, e.g. against extreme weather
- Y02A50/30—Against vector-borne diseases, e.g. mosquito-borne, fly-borne, tick-borne or waterborne diseases whose impact is exacerbated by climate change
Landscapes
- Health & Medical Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Life Sciences & Earth Sciences (AREA)
- General Health & Medical Sciences (AREA)
- Organic Chemistry (AREA)
- Medicinal Chemistry (AREA)
- Immunology (AREA)
- Animal Behavior & Ethology (AREA)
- Veterinary Medicine (AREA)
- Public Health (AREA)
- Pharmacology & Pharmacy (AREA)
- Molecular Biology (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Biochemistry (AREA)
- Biophysics (AREA)
- Genetics & Genomics (AREA)
- Engineering & Computer Science (AREA)
- Epidemiology (AREA)
- Nuclear Medicine, Radiotherapy & Molecular Imaging (AREA)
- Chemical Kinetics & Catalysis (AREA)
- General Chemical & Material Sciences (AREA)
- Zoology (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Microbiology (AREA)
- Mycology (AREA)
- Pest Control & Pesticides (AREA)
- Dentistry (AREA)
- Toxicology (AREA)
- Environmental Sciences (AREA)
- Wood Science & Technology (AREA)
- Gastroenterology & Hepatology (AREA)
- Plant Pathology (AREA)
- Agronomy & Crop Science (AREA)
- Oncology (AREA)
- Transplantation (AREA)
- Communicable Diseases (AREA)
- Pain & Pain Management (AREA)
- Rheumatology (AREA)
- Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)
- Peptides Or Proteins (AREA)
Abstract
Un péptido inmunomodulador aislado que comprende una secuencia de aminoácidos de VQLRIRVAVIRA (SEC ID Nº: 2) o un péptido relacionado que tiene una secuencia de aminoácidos de LVRAIQVRAVIR (SEC ID Nº: 1213), VQRWLIVWRIRK (SEC ID Nº: 1214), IRWRIRVWVRRI (SEC ID Nº: 1222), IFWRRIVIVKKF (SEC ID Nº: 1224), VRLIVAVRIWRR (SEC ID Nº: 1230), VRLRIRWWVLRK (SEC ID Nº: 1232), VQWRIRVRVIKK (SEC ID Nº: 1238) o KQFRIRVRVIRK (SEC ID Nº: 12).
Description
E07800481
26-08-2014
Continuación
15
25
35
45
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- Nombre
- Secuencia ID
- HH7
- VRLRIRVAVRRA SEQ ID NO 7
- HH8
- VRLRIRVAVIRK SEQ ID NO 8
- HH9
- VQLRIRVRVIRK SEQ ID NO 9
- HH10
- KRFRIRVAVRRA SEQ ID NO 10
- HH11
- VRLRIRVRVIRK SEQ ID NO 11
- HH12
- KQFRIRVRVIRK SEQ ID NO 12
- HH13
- HQFRFRFRVRRK SEQ ID NO 13
- HH14
- HQWRIRVAVRRH SEQ ID NO 14
- HH15
- KRFRIRVRVIRK SEQ ID NO 15
- HH16
- KRWRIRVRVIRK SEQ ID NO 16
- HH17
- KIWVRWR SEQ ID NO 17
- HH18
- IWVIWRR SEQ ID NO 18
- HH19
- ALPWKWPWWPWRR SEQ ID NO 19
- HH20
- IAPWKWPWWPWRR SEQ ID NO 20
- HH21
- ILAWKWPWWPWRR SEQ ID NO 21
- HH22
- ILPAKWPWWPWRR SEQ ID NO 22
- HH23
- ILPWAWPWWPWRR SEQ ID NO 23
- HH24
- ILPWKAPWWPWRR SEQ ID NO 24
- HH25
- ILPWKWAWWPWRR SEQ ID NO 25
- HH26
- ILPWKWPAWPWRR SEQ ID NO 26
- HH27
- ILPWKWPWAPWRR SEQ ID NO 27
- HH28
- ILPWKWPWWAWRR SEQ ID NO 28
- HH29
- ILPWKWPWWPARR SEQ ID NO 29
- HH30
- ILPWKWPWWPWAR SEQ ID NO 30
- HH31
- ILPWKWPWWPWRA SEQ ID NO 31
- HH32
- DLPWKWPWWPWRR SEQ ID NO 32
- HH33
- IDPWKWPWWPWRR SEQ ID NO 33
- HH34
- ILDWKWPWWPWRR SEQ ID NO 34
- HH35
- ILPDKWPWWPWRR SEQ ID NO 35
- HH36
- ILPWDWPWWPWRR SEQ ID NO 36
- HH37
- ILPWKDPWWPWRR SEQ ID NO 37
- HH38
- ILPWKWDWWPWRR SEQ ID NO 38
- HH39
- ILPWKWPDWPWRR SEQ ID NO 39
- HH40
- ILPWRWPWDPWRR SEQ ID NO 40
- HH41
- ILPWKWPWWDWRR SEQ ID NO 41
- HH42
- ILPWKWPWWPDRR SEQ ID NO 42
- HH43
- ILPWKWPWWPWDR SEQ ID NO 43
- HH44
- ILPWKWPWWPWRD SEQ ID NO 44
28
E07800481
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continuación
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- Nombre
- Secuencia ID
- HH45
- ELPWKWPWWPWRR SEQ ID NO 45
- HH46
- IEPWKWPWWPWRR SEQ ID NO 46
- HH47
- ILEWKWPWWPWRR SEQ ID NO 47
- HH48
- ILPEKWPWWPWRR SEQ ID NO 48
- HH49
- ILPWEWPWWPWRR SEQ ID NO 49
- HH50
- ILPWKEPWWPWRR SEQ ID NO 50
- HH51
- ILPWKWEWWPWRR SEQ ID NO 51
- HH52
- ILPWKWPEWPWRR SEQ ID NO 52
- HH53
- ILPWKWPWEPWRR SEQ ID NO 53
- HH54
- ILPWKWPWWEWRR SEQ ID NO 54
- HH55
- ILPWKWPWWPERR SEQ ID NO 55
- HH56
- ILPWKWPWWPWER SEQ ID NO 56
- HH57
- ILPWKWPWWPWRE SEQ ID NO 57
- HH58
- FLPWKWPWWPWRR SEQ ID NO 58
- HH59
- IFPWKWPWWPWRR SEQ ID NO 59
- HH60
- ILFWKWPWWPWRR SEQ ID NO 60
- HH61
- ILPFKWPWWFWRR SEQ ID NO 61
- HH62
- ILPWFWPWWPWRR SEQ ID NO 62
- HH63
- ILPWKFPWWPWRR SEQ ID NO 63
- HH64
- ILPWKWFMWPWRR SEQ ID NO 64
- HH65
- ILPWKWPFWPWRR SEQ ID NO 65
- HH66
- ILPWKWPWFPWRR SEQ ID NO 66
- HH67
- ILPWKWPWWFWRR SEQ ID NO 67
- HH68
- ILPWKWPWWPFRR SEQ ID NO 68
- HH69
- ILPWKWPWWPWFR SEQ ID NO 69
- HH70
- ILPWKWPWWPWRF SEQ ID NO 70
- HH71
- GLPWRWPWWPWRR SEQ ID NO 71
- HH72
- IGPWKWPWWPWRR SEQ ID NO 72
- HH73
- ILGWKWPWWPWRR SEQ ID NO 73
- HH74
- ILPGKWPWWPWRR SEQ ID NO 74
- HH75
- ILPWGWPWWPWRR SEQ ID NO 75
- HH76
- ILPWKGPWWPWRR SEQ ID NO 76
- HH77
- ILPWRWGWWPWRR SEQ ID NO 77
- HH78
- ILPWKWPGWPWRR SEQ ID NO 78
- HH79
- ILPWKWPWGPWRR SEQ ID NO 79
- HH80
- ILPWRWPWWGWRR SEQ ID NO 80
- HH81
- ILPWRWPWWPGRR SEQ ID NO 81
- HH82
- ILPWKWPWWPWGR SEQ ID NO 82
29
E07800481
26-08-2014
Continuación
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- Nombre
- Secuencia ID
- HH83
- ILPWKWPWWPWRG SEQ ID NO 83
- HH84
- HLPWKWPWWPWRR SEQ ID NO 84
- HH85
- IHPWKWPWWPWRR SEQ ID NO 85
- HH86
- ILHWKWPWWPWRR SEQ ID NO 86
- HH87
- ILPHKWPWWPWRR SEQ ID NO 87
- HH88
- ILPWHWPWWPWRR SEQ ID NO 88
- HH89
- ILPWKHPWWPWRR SEQ ID NO 89
- HH90
- ILPWKMHWWPWRR SEQ ID NO 90
- HH91
- ILPWKWPHWPWRR SEQ ID NO 91
- HH92
- ILPWRWPWHPWRR SEQ ID NO 92
- HH93
- ILPWKWPWWHWRR SEQ ID NO 93
- HH94
- ILPWKWPWWPHRR SEQ ID NO 94
- HH95
- ILPWKWPWWPWHR SEQ ID NO 95
- HH96
- ILPWKWPWWPWRH SEQ ID NO 96
- HH97
- IIPWKWPWWPWRR SEQ ID NO 97
- HH98
- ILIWKWPWWPWRR SEQ ID NO 98
- HH99
- ILPIKWPWWPWRR SEQ ID NO 99
- HH100
- ILPWIWPWWPWRR SEQ ID NO 100
- HH101
- ILPWKIPWWPWRR SEQ ID NO 101
- HH102
- ILPWKWIWWPWRR SEQ ID NO 102
- HH103
- ILPWKWPIWPWRR SEQ ID NO 103
- HH104
- ILPWKWPWIPWRR SEQ ID NO 104
- HH105
- ILPWKWPWWIWRR SEQ ID NO 105
- HH106
- ILPWKWPWWPIRR SEQ ID NO 106
- HH107
- ILPWKWPWWPWIR SEQ ID NO 107
- HH108
- ILPWKWPWWPWRI SEQ ID NO 108
- HH109
- KLPWKWPWWPWRR SEQ ID NO 109
- HH110
- IKPWKWPWWPWRR SEQ ID NO 110
- HH111
- ILKWKWPWWPWRR SEQ ID NO 111
- HH112
- ILPKKWPWWPWRR SEQ ID NO 112
- HH113
- ILPWKKPWWPWRR SEQ ID NO 113
- HH114
- ILPWKWKWWPWRR SEQ ID NO 114
- HH115
- ILPWKWPKWPWRR SEQ ID NO 115
- HH116
- ILPWKWPWKPWRR SEQ ID NO 116
- HH117
- ILPWKWPWWKWRR SEQ ID NO 117
- HH118
- ILPWKWPWWPKRR SEQ ID NO 118
- HH119
- ILPWKWPWWPWKR SEQ ID NO 119
- HH120
- ILPWKWPWWPWRK SEQ ID NO 120
30
E07800481
26-08-2014
Continuación
15
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- Nombre
- Secuencia ID
- HH121
- LLPWKWPWWPWRR SEQ ID NO 121
- HH122
- ILLWKWPWWPWRR SEQ ID NO 122
- HH123
- ILPLKWPWWPWRR SEQ ID NO 123
- HH124
- ILPWLWPWWPWRR SEQ ID NO 124
- HH125
- ILPWKLPWWPWRR SEQ ID NO 125
- HH126
- ILPWKWLWWPWRR SEQ ID NO 126
- HH127
- ILPWKWPLWPWRR SEQ ID NO 127
- HH128
- ILPWKWPWLPWRR SEQ ID NO 128
- HH129
- ILPWKWPWWLWRR SEQ ID NO 129
- HH130
- ILPWKWPWWPLRR SEQ ID NO 130
- HH131
- ILPWKWPWWPWLR SEQ ID NO 131
- HH132
- ILPWKWPWWPWRL SEQ ID NO 132
- HH133
- MLPWKWPWWPWRR SEQ ID NO 133
- HH134
- IMPWKWPWWPWRR SEQ ID NO 134
- HH135
- ILMWKWPWWPWRR SEQ ID NO 135
- HH136
- ILPMKWPWWPWRR SEQ ID NO 136
- HH137
- ILPWMWPWWPWRR SEQ ID NO 137
- HH138
- ILPWKMPWWPWRR SEQ ID NO 138
- HH139
- ILPWKWMWWPWRR SEQ ID NO 139
- HH140
- ILPWKWPMWPWRR SEQ ID NO 140
- HH141
- ILPWKWPWMPWRR SEQ ID NO 141
- HH142
- ILPWKWPWWMWRR SEQ ID NO 142
- HH143
- ILPWKWPWWPMRR SEQ ID NO 143
- HH144
- ILPWKWPWWPWMR SEQ ID NO 144
- HH145
- ILPWKWPWWPWRM SEQ ID NO 145
- HH146
- NLPWKWPWWPWRR SEQ ID NO 146
- HH147
- INPWKWPWWPWRR SEQ ID NO 147
- HH148
- ILNWKWPWWPWRR SEQ ID NO 148
- HH149
- ILPNKWPWWPWRR SEQ ID NO 149
- HH150
- ILPWNWPWWPWRR SEQ ID NO 150
- HH151
- ILPWKNPWWPWRR SEQ ID NO 151
- HH152
- ILPWKWNWWPWRR SEQ ID NO 152
- HH153
- ILPWKWPNWPWRR SEQ ID NO 153
- HH154
- ILPWKWPWNPWRR SEQ ID NO 154
- HH155
- ILPWKWPWWNWRR SEQ ID NO 155
- HH156
- ILPWKWPWWPNRR SEQ ID NO 156
- HH157
- ILPWKWPWWPWNR SEQ ID NO 157
- HH158
- ILPWKWPWWPWRN SEQ ID NO 158
31
Tabla 6. Descriptores moleculares 'inductivos' y convencionales utilizados en el modelado de QSAR de actividad antimicrobiana de péptidos catiónicos cortos.
icrobial contra P. aeruginosa de H1001 fue determinadad después de 4 horas de incubación con el péptido usando liminiscencia como indicador (metodo descrito a actividad antimicrobial fue clasificada usando los siguiente simbolos, -actividad mín
e Cytotoxicity
Cytotoxicity
actividad, + actividad semanal, +/++ actividad intermedia, ++ fuerte actividad
Parámetro QSAR
- Basados en electronegatividad
- EO_Equalized
- Electronegatividad iterativamente igualada de una molecula
- Average_EO_Pos
- Media aritmética de electronegatividades de los átomos con parcial positiva
- Averege_EO_Neg partial
- Media aritmética de electronegatividades de los átomos con carga negativa
- Basados en dureza
- Sum_Hardness
- Suma de durezas de átomos de una molécula
- Sum_Neg_Hardness
- Suma de durezas de átomos con carga parcial negativa
- Average_Hardness
- Media aritmética de durezas de todos los átomos de una mólecula
- Average_Neg_Hardness
- Media aritmética de durezas de átomos con carga parcial negativa
- Smallest_Pos_Hardness
- Dureza atómica mas pequeña entre los valores de átomos cargados positivamente
- Smallest_Neg_Hardness
- Dureza atómica mas pequeña entre los valores de átomos cargados positivamente
- Largest_Pos_Hardness
- Dureza atómica mas grande entre los valores de átomos cargados positivamente
- Largest_Neg_Hardness
- Dureza atómica mas grande entre los valores de átomos cargados positivamente
- Hardness_of_Most_Pos
- Dureza atómica de un átomo con la carga mas positiva
- Hardness_of_Most_Neg
- Dureza atómica de un átomo con la carga mas negativa
- Basados en suavidad
- Total_Neg_Softness
- Suma de suavidades de átomos con carga parcial negativa
- Average_Neg_Softness
- Media aritmética de suavidades de átomos con carga parcial negativa
- Basados en carga
- Average_Pos_harge
- Media aritmética de las cargas parciales positivas de los atomos de 1 molecula
- Average_Neg_Charge
- Media aritmética de las cargas parciales negativas de los atomos de 1 molecula
- Descriptores basados en constantes sustituyentes inductivas
- Total_Sigma_mol_i
- Suma de parámetros indutivos sigma (molecula -> atomo) para todos los átomos dentro de una molecula.
- Most_Pos_Sigma_mol_i
- Mayor grupo positivo de parámetros inductivos sigma (molecula->atomo) para los átomos de una molécula.
- Most_Neg_Sigma_mol_i
- Parametro sigma indutivo mas grande para los atomos en un molecula.
- Sum_Pos_Sigma_mol_i
- Suma de todos los parámetros inductivos de grupo psotivo sigma (molécula->átomo) dentro de una molécula.
- Sum_Neg_Sigma_mol_i
- Suma de todos los parámetros inductivos de grupo negativo sigma (molécula>átomo) dentro de una molécula.
- Descriptores basadas en constantes sustituyentes estéricos
- Smallest_Rs_mol_i
- Valos mas pequeño de Rs de grupo estérico de influencia en una molecula.
- Larges_Rs_i_mol
- Valor mayor de Rs atomico estérico de influencia en una molecula.
- Most_Neg_Rs_mol_i
- Rs influencia estérica en el átomo con mas carga negativa en una molécula
68
- Descriptores QSAR convencionales aplicadas por el entorno operativo molecular (MOE) v.2006.05 software, Chemical Computation Group Inc., Montreal, Canada.
- a_acc
- Número de enlaces de hidrógeno en átomos aceptores
- a_don
- Número de enlaces de hidrógeno en átomos donadores
- ASA
- Área de superficie accesible de agua
- ASA_H
- Área de superficie accesible de agua de todos los átomos hidrófobos
- ASA_P
- Área de superficie accesible de agua de todos los átomos polares
- ASA-
- Área de superficie accesible de agua de todos los átomos con carga parcial negativa
- ASA+
- Área de superficie accesible de agua de todos los átomos con carga parcial positiva
- FCharge
- Carga total de la molécula
- logP(o/w)
- Log del coeficiente de reparto octanol/agua
- Logs
- Log de la solubilidad acuosa
- PC-
- Carga parcial negativa total
- PC+
- Carga parcial positiva total
- RPC+
- Carga parcial positiva relativa
- Vdw_area
- Area superficial de Van der Waals calculada usando una aproximación de la tabla de conexiones.
- vsa_acc
- Aproximación a la suma de las areas superficiales de VDW acpetoras de enlaces de hidrógeno puro
- vsa_acid
- Aproximación a la suma de las áreas superficiales de VDW de átomos de ácidos
- vsa_hyd
- Aproximación a la suma de las áreas superficiales de VDW de átomos básicos
- Weight
- Peso molecular
Los descriptores de QSAR convencionales se calcularon para los compuestos del conjunto de entrenamiento y del conjunto externo usando el parámetro por defecto del paquete MOE, mientras que los parámetros 'inductivos' se han calculado por secuencias de comandos de SVL customizadas (un lenguaje especializado de MOE) usando las ecuaciones fundamentales encontradas en la FIG. 8 para parámetros de efecto estérico, parámetros de influencia inductiva, carga parcial 'inductiva', electronegatividad 'inductiva' de grupos y análogos 'inductivos' de dureza y suavidad química local y global. El carácter lineal de estas ecuaciones hizo a los descriptores inductivos en la FIG. 8 fácilmente calculables y adecuados para bases de datos considerables y los posiciona como parámetros apropiados para los modelos de QSAR a gran escala.
Las distancias interatómicas se calcularon para todos los péptidos evaluados usando sus estructuras tridimensionales optimizadas con el campo de fuerza de MMFF94. Los tipos atómicos se han diseñado según el nombre, estado de valencias y una carga formal de átomos como se define dentro del MOE.
Los descriptores de QSAR usados en el estudio se han normalizado en el intervalo [0,0÷1,0] y los conjuntos de entrenamiento y de prueba que no se superponen se han sacado al azar por las secuencias de comandos de Java customizadas. El entrenamiento y prueba de las redes neuronales se ha realizado usando el simulador de redes neuronales de Stuttgart. El entrenamiento se realizó mediante el algoritmo de retropropagación con alimentación hacia adelante con el decaimiento de peso y barajado de patrones. Los valores de tasas iniciales se asignaron al azar en un intervalo [0,0÷1,0], la tasa de aprendizaje se ha fijado a 0,8 con el umbral 0,10. El conjunto externo de
100.000 candidatos a péptido diseñados usando los parámetros de la biblioteca de segunda generación descritos en la FIG. 6 se creó usando secuencias de comandos de SVL customizadas.
EJEMPLO 6
PREDICCIÓN DE PÉPTIDOS NOVEDOSOS
Para relacionar los descriptores de QSAR con la actividad antimicrobiana conocida de péptidos previamente estudiados, como se describe en el Ejemplo 5, se empleó el procedimiento de redes neuronales artificiales, una de
69
Claims (1)
-
imagen1
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| EP2061886B1 (en) | 2006-08-21 | 2014-05-07 | The University Of British Columbia | Small cationic immunomodulatory peptides |
| ES2548767T3 (es) * | 2007-01-16 | 2015-10-20 | The Regents Of The University Of California | Nuevos péptidos antimicrobianos |
| AU2009254152A1 (en) | 2008-06-02 | 2009-12-10 | Spiderbiotech S.R.L. | Antibacterial peptides |
| EP2344522B1 (en) | 2008-10-16 | 2016-01-27 | The University of Saskatchewan | Combination adjuvant formulation |
| GB0821616D0 (en) * | 2008-11-26 | 2008-12-31 | Lytix Biopharma As | Compounds |
| IT1395137B1 (it) * | 2009-08-05 | 2012-09-05 | Spider Biotech S R L | Nuovi peptidi antipatogeni |
| US20130079382A1 (en) | 2009-10-12 | 2013-03-28 | Larry J. Smith | Methods and Compositions for Modulating Gene Expression Using Oligonucleotide Based Drugs Administered in vivo or in vitro |
| CN101696417B (zh) * | 2009-11-02 | 2012-12-26 | 查向东 | 共表达阴离子配体生产重组阳离子抗菌肽的方法 |
| GB201016733D0 (en) * | 2010-10-05 | 2010-11-17 | Novabiotics Ltd | Compounds and their use |
| US20130316963A1 (en) * | 2010-06-15 | 2013-11-28 | University Of Manitoba | Innate defence regulatory peptide compositions for treatment of arthritis |
| US20120128701A1 (en) | 2010-09-09 | 2012-05-24 | Nationwide Children's Hospital, Inc. | Compositions and methods for the removal of biofilms |
| US9303063B2 (en) | 2011-03-18 | 2016-04-05 | Duke University | Peptide compounds for suppressing inflammation |
| JP6158097B2 (ja) | 2011-03-18 | 2017-07-05 | デューク・ユニヴァーシティ | 炎症を抑制するためのペプチド |
| WO2012148720A2 (en) | 2011-04-27 | 2012-11-01 | The Regents Of The University Of California | Anti-microbial peptides and methods of use thereof |
| WO2013034982A2 (en) * | 2011-09-09 | 2013-03-14 | The University Of British Columbia | Immunomodulatory peptides for treatment of progressive neurodegenerative diseases |
| CN103974713B (zh) * | 2011-10-10 | 2016-06-08 | 罗兰·拜赖茨 | 用于治疗感染性疾病的抗微生物肽 |
| US9482666B2 (en) | 2011-11-22 | 2016-11-01 | Arizona Board Of Regents, A Body Corporate Of The State Of Arizona, Acting For And On Behalf Of Arizona State University | High throughput selection of specific cell binding and lytic polypeptides |
| MY151112A (en) * | 2012-06-18 | 2014-04-10 | Univ Malaya | Peptides having antimicrobial activity |
| MY151307A (en) * | 2012-06-18 | 2014-05-05 | Univ Malaya | Peptides having antimicrobial activity |
| US9200082B2 (en) * | 2013-03-14 | 2015-12-01 | The University Of Chicago | Methods and compositions involving fibrillizing polypeptides for nanofibers |
| US11274144B2 (en) | 2013-06-13 | 2022-03-15 | Research Institute At Nationwide Children's Hospital | Compositions and methods for the removal of biofilms |
| WO2015038339A1 (en) * | 2013-08-27 | 2015-03-19 | The University Of British Columbia | Small cationic anti-biofilm and idr peptides |
| US11248040B2 (en) | 2013-09-26 | 2022-02-15 | Trellis Bioscience, Llc | Binding moieties for biofilm remediation |
| WO2015065916A1 (en) * | 2013-10-31 | 2015-05-07 | East Carolina University | Anti microbial peptides incorporating cyclic alpha tetra-substituted unnatural amino acids |
| DE102014101663A1 (de) * | 2014-02-11 | 2015-08-13 | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. | Synthetische artifizielle Peptide mit antimikrobieller Wirkung |
| WO2015138494A1 (en) | 2014-03-10 | 2015-09-17 | Georges Belfort | Anti-microbial peptides and method for designing novel anti-microbial peptides |
| US10507227B2 (en) * | 2014-04-15 | 2019-12-17 | The Hospital For Sick Children | Cationic antimicrobial peptides |
| WO2016044683A1 (en) * | 2014-09-19 | 2016-03-24 | Tensive Controls, Inc. | Anti-microbial peptides |
| WO2016132377A1 (en) * | 2015-02-18 | 2016-08-25 | Indian Council Of Medical Research | A peptide to neutralize lipopolysaccharide molecule |
| EP3322408B1 (en) | 2015-07-14 | 2022-06-08 | The Research Institute at Nationwide Children's Hospital | Novel formulation for the elimination of cariogenic and opportunistic pathogens within the oral cavity |
| EP3328429A4 (en) | 2015-07-31 | 2019-03-20 | The Research Institute at Nationwide Children's Hospital | PEPTIDES AND ANTIBODIES FOR THE REMOVAL OF BIOFILMS |
| WO2017066719A2 (en) | 2015-10-14 | 2017-04-20 | Research Institute At Nationwide Children's Hospital | Hu specific interfering agents |
| CN107446019B (zh) | 2016-07-01 | 2021-10-15 | 四川大学 | 抗菌肽衍生物及其用途 |
| WO2018129078A1 (en) | 2017-01-04 | 2018-07-12 | Research Institute At Nationwide Children's Hospital | Dnabii vaccines and antibodies with enhanced activity |
| RU2678985C2 (ru) * | 2017-02-06 | 2019-02-05 | Общество с ограниченной ответственностью "Научно-производственная фирма ВЕРТА" | Биоцидный пептид и препарат на его основе |
| JP2020510696A (ja) * | 2017-03-03 | 2020-04-09 | ぺプチロジックス，インク． | 操作した抗菌性両親媒性ペプチド及びその使用方法 |
| US11746136B2 (en) | 2017-03-15 | 2023-09-05 | Research Institute At Nationwide Children's Hospital | Composition and methods for disruption of bacterial biofilms without accompanying inflammation |
| US11571454B2 (en) | 2017-06-05 | 2023-02-07 | The Penn State Research Foundation | Anticancer peptides that synergistically enhance chemotherapeutic potency |
| WO2018226614A1 (en) * | 2017-06-05 | 2018-12-13 | The Penn State Research Foundation | Inhalable antimicrobial particles and methods of making the same |
| US20220033437A1 (en) * | 2018-10-10 | 2022-02-03 | Board Of Regents Of The University Of Nebraska | Anti-microbial peptides |
| CN113226349A (zh) * | 2018-10-19 | 2021-08-06 | 激流生物科学有限公司 | 抗微生物肽及其使用方法 |
| CN109553657B (zh) * | 2018-11-30 | 2021-10-19 | 东北农业大学 | 一种非完美两亲性肽w4及其制备方法和应用 |
| KR102170236B1 (ko) * | 2019-03-19 | 2020-10-29 | (주)노바셀테크놀로지 | 신규 다중 기능성 펩타이드 및 그의 용도 |
| CN111253470B (zh) * | 2019-11-22 | 2023-01-10 | 宁波大学 | 免疫调节因子idr-1018衍生肽及其应用 |
| CN110903347A (zh) * | 2019-12-05 | 2020-03-24 | 中国人民解放军陆军军医大学第一附属医院 | 抗菌肽l7及其应用 |
| KR102220323B1 (ko) * | 2020-05-15 | 2021-02-26 | (주)노바셀테크놀로지 | 신규 다중 기능성 펩타이드 및 그의 용도 |
| US11174289B1 (en) | 2020-05-21 | 2021-11-16 | International Business Machines Corporation | Artificial intelligence designed antimicrobial peptides |
| BR102021021376A2 (pt) * | 2021-10-25 | 2023-05-09 | União Brasileira De Educação Católica - Ubec | Composição, processo de produção da composição e uso da composição de nanofibras que compreende pva, quitosana, antibiótico e peptídeo de defesa do hospedeiro |
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| US6303575B1 (en) | 1998-05-12 | 2001-10-16 | The Regents Of The University Of California | Indolicidin analogs and methods of using same |
| US6482799B1 (en) | 1999-05-25 | 2002-11-19 | The Regents Of The University Of California | Self-preserving multipurpose ophthalmic solutions incorporating a polypeptide antimicrobial |
| US7507787B2 (en) | 2001-12-03 | 2009-03-24 | The University Of British Columbia | Effectors of innate immunity |
| EP1470249A2 (en) | 2001-12-03 | 2004-10-27 | The University Of British Columbia | Effectors of innate immunity |
| WO2005068492A2 (en) * | 2004-01-06 | 2005-07-28 | The United States Of America As Represented By The Secretary Of Health And Human Services, Nih | Peptide inhibitors of retroviral integrase useful for the treatment of retroviral infection |
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| EP2061886B1 (en) | 2006-08-21 | 2014-05-07 | The University Of British Columbia | Small cationic immunomodulatory peptides |
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