Natural Product (NP) Details

General Information of the NP (ID: NP3286)
Name
Lactoferrin
Synonyms
Lactoferrin; Lactoferrin (Bovine); 151186-19-5; J-008279
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Species Origin Milk vetch dwarf China alphasatellite ...     Click to Show/Hide
Milk vetch dwarf China alphasatellite
SuperKingdom: Viruses
Family: Alphasatellitidae
Genus: Mivedwarsatellite
Species: Milk vetch dwarf China alphasatellite
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C141H226N46O29S3
PubChem CID
126456119
Canonical SMILES
CCC(C)C(C(=NC(C(C)O)C(=NC(CS)C(=NC(C(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(C)C(=NC(CC1=CC=CC=C1)C(=O)O)O)O)O)O)O)O)O)N=C(C(CO)N=C(C2CCCN2C(=O)C(C)N=C(CN=C(C(CC(C)C)N=C(C(CCCCN)N=C(C(CCCCN)N=C(C(CCSC)N=C(C(CCCNC(=N)N)N=C(C(CC3=CNC4=CC=CC=C43)N=C(C(CCC(=N)O)N=C(C(CC5=CNC6=CC=CC=C65)N=C(C(CCCNC(=N)N)N=C(C(CCCNC(=N)N)N=C(C(CS)N=C(C(CCCCN)N=C(C(CC7=CC=CC=C7)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
InChI
1S/C141H226N46O29S3/c1-11-77(6)111(133(212)186-112(80(9)189)134(213)183-106(74-218)130(209)184-110(76(4)5)132(211)176-97(49-32-61-161-141(155)156)120(199)170-93(45-28-57-157-137(147)148)116(195)166-78(7)113(192)180-103(136(215)216)66-82-36-16-13-17-37-82)185-128(207)104(72-188)181-131(210)107-50-33-62-187(107)135(214)79(8)165-109(191)71-164-115(194)100(64-75(2)3)177-121(200)92(44-24-27-56-144)168-117(196)91(43-23-26-55-143)169-125(204)99(53-63-219-10)175-119(198)94(46-29-58-158-138(149)150)172-126(205)101(67-83-69-162-88-40-20-18-38-85(83)88)179-124(203)98(51-52-108(146)190)174-127(206)102(68-84-70-163-89-41-21-19-39-86(84)89)178-122(201)96(48-31-60-160-140(153)154)171-118(197)95(47-30-59-159-139(151)152)173-129(208)105(73-217)182-123(202)90(42-22-25-54-142)167-114(193)87(145)65-81-34-14-12-15-35-81/h12-21,34-41,69-70,75-80,87,90-107,110-112,162-163,188-189,217-218H,11,22-33,42-68,71-74,142-145H2,1-10H3,(H2,146,190)(H,164,194)(H,165,191)(H,166,195)(H,167,193)(H,168,196)(H,169,204)(H,170,199)(H,171,197)(H,172,205)(H,173,208)(H,174,206)(H,175,198)(H,176,211)(H,177,200)(H,178,201)(H,179,203)(H,180,192)(H,181,210)(H,182,202)(H,183,213)(H,184,209)(H,185,207)(H,186,212)(H,215,216)(H4,147,148,157)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t77-,78-,79-,80+,87-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,110-,111-,112-/m0/s1
InChIKey
CSSYQJWUGATIHM-IKGCZBKSSA-N
CAS Number
CAS 151186-19-5
TTD Drug ID
D0O5WD
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Cephalosporin      Bacterial infection     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression p105  Molecule Info 
Pathway MAP
                    In-vitro Model BMEC-CH CVCL_HG35 Healthy Bos taurus
                    In-vivo Model The 22 dry cows from 4 dairy farms were 3 to 6 years old suffered from clinical mastitis with S.aureus.
                    Experimental
                    Result(s)		 The efficacy of combination therapy with antibiotics and Lf caused antibacterial effect of antibiotics and inhibition of pro-inflammatory cytokine and chemokine production with Lf via the inhibition of NFkappaB activation.
          Rifaximin alpha      Hepatic fibrosis/cirrhosis     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Retrospective observational survey study
                    Experimental
                    Result(s)		 Combination therapy with cyclic rifaximin-Alpha and continuous arabinogalactan combined with lactoferrin are effective in SUDD treatment in terms of symptom resolution, bowel movement normalization, prevention of recurrences with very good patient's compliance.
Target and Pathway
Target(s) Tryptase-1 (Tryptase)  Molecule Info  [4]
Reactome Activation of Matrix Metalloproteinases Click to Show/Hide
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Effect of combination therapy with lactoferrin and antibiotics against staphylococcal mastitis on drying cows. J Vet Med Sci. 2006 Mar;68(3):205-11.
Reference 3 Combined therapy: rifaximin-Alpha and arabinogalactan with lactoferrin combination effectively prevents recurrences of symptomatic uncomplicated diverticular disease. Pol Przegl Chir. 2020 Apr 7;92(2):22-28.
Reference 4 Inhibitors of tryptase for the treatment of mast cell-mediated diseases. Curr Pharm Des. 1998 Oct;4(5):381-96.
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