MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/m_MTBLS13219_LC-MS_positive_hilic_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/m_MTBLS13219_LC-MS_negative_hilic_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/a_MTBLS13219_LC-MS_positive_hilic.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/a_MTBLS13219_LC-MS_negative_hilic.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219/s_MTBLS13219.txtprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13219Based on high-resolution mass spectrometry (HRMS) detection technology, non-targeted metabolomics detects as many molecular characteristic peaks in the sample as possible. Mass Bank, Metlin, MoNA and other public databases were combined with self-built secondary mass spectrometry database matching for material annotation.MetaboLightsPublicLiquid Chromatography MS - positive - hilicLiquid Chromatography MS - negative - hilicAnalysis was performed using an UHPLC (1290 Infinity LC, Agilent Technologies) coupled to a quadrupole time-of-flight (AB Sciex TripleTOF 6600) in Shanghai Applied Protein Technology Co., Ltd. For HILIC separation, samples were analyzed using a 2.1 mm × 100 mm ACQUIY UPLC BEH 1.7 µm column (waters, Ireland). In both ESI positive and negative modes, the mobile phase contained A=25 mM ammonium acetate and 25 mM ammonium hydroxide in water and B= acetonitrile. The gradient was 85% B for 1 min and was linearly reduced to 65% in 11 min, and then was reduced to 40% in 0.1 min and kept for 4 min, and then increased to 85% in 0.1 min, with a 5 min re-equilibration period employed. The integration of network pharmacology and multiomics reveals the mechanism by which Malus hupehensis leaves inhibit acute liver injury.Shaanxi University of Chinese MedicineJiaxin Qiaolivermixed samplemass spectrometry assayThe livers tissue samples with 200 μL of H2O and five ceramic beads were homogenized using the homogenizer. 800 μL methanol/acetonitrile (1:1, v/v) were added to homogenized solution for metabolite extraction. The mixture was centrifuged for 15 min (14000 g, 4 °C). The supernatant was dried in a vacuum centrifuge. For LC-MS analysis, the samples were re-dissolved in 100 μL acetonitrile/water (1:1, v/v) solvent. The quality control sample (QC) is a mixture of equal volume from the sample to be tested, which is used to determine the state and balance of the instrument before injection.Mus musculusmixed samplehttps://www.ebi.ac.uk/metabolights/MTBLS13219Jia-xin Qiao. School of Pharmacy. Shaanxi University of Chinese Medicine. q15719263794@126.com. 15719263794.Dongyan Guo. School of Pharmacy. Shaanxi University of Chinese Medicine. 2051080@sntcm.edu.cn.For peak picking , centWave m/z = 25ppm, peakwidth = c (10, 60), prefilter = c (10, 100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used.Factorq15719263794@126.comC57BL/6J male mice were acclimatized and fed for one week prior to the start of the experiment, the mice were randomly divided into six groups (n=10), which were classified into a control group (Control), a model group (Model), a positive control (silymarin 200 mg/kg) group, and groups provided MH extracts in low (MH-L 0.42 g/kg), medium (MH-M 0.84 g/kg), and high (MH-H 1.68 g/kg) doses . The amount of gavage was determined for each administration group according to the body weight of the mice (20 mL/kg), once a day for 10 consecutive days. The blank group and the model group were given equal volume of normal saline. The body weight of the mice was measured every three days. On the 10th day, 2 hours after the end of administration, the control group was intraperitoneally injected with 10 mL/kg olive oil, and the other groups were intraperitoneally injected with 10 mL/kg olive oil containing 2% carbon tetrachloride to establish an ALI model . The animal execution procedure was in line with the guidelines for pain management and humanitarian animal execution. The mice were deeply anesthetized by isoflurane inhalation, euthanized by cervical dislocation, and the whole liver was quickly removed using anatomical scissors and tweezers. The liver is briefly flushed in a precooled phosphate buffered saline solution to remove residual blood and drain. The liver tissue was immediately frozen in liquid nitrogen and the samples were stored at-80 °C until analysis.MetabolomicsMetabolomicsMus musculusliveruntargeted analysisNetwork Pharmacologyquality control sampletissueAgilent 1290 Infinity LCmixed sampleacute liver injuryMalus hupehensisuntargeted metabolitesAB SCIEX TripleTOF 6600MetabolomicsMus musculusliveruntargeted analysisNetwork Pharmacologyquality control sampletissueAgilent 1290 Infinity LCmixed sampleacute liver injuryMalus hupehensisuntargeted metabolitesAB SCIEX TripleTOF 6600The ESI source conditions were set as follows: Ion Source Gas1 (Gas1) as 60, Ion Source Gas2 (Gas2) as 60, curtain gas (CUR) as 30, source temperature: 600 ℃, IonSpray Voltage Floating (ISVF) ± 5500 V. In MS only acquisition, the instrument was set to acquire over the m/z range 60-1000 Da, and the accumulation time for TOF MS scan was set at 0.20 s/spectra. In auto MS/MS acquisition, the instrument was set to acquire over the m/z range 25-1000 Da, and the accumulation time for product ion scan was set at 0.05 s/spectra. The product ion scan is acquired using information dependent acquisition (IDA) with high sensitivity mode selected. The parameters were set as follows: the collision energy (CE) was fixed at 35 V with ± 15 eV; declustering potential (DP), 60 V (+) and−60 V (−); exclude isotopes within 4 Da, candidate ions to monitor per cycle: 10.SchaftosideSalmeterolCylindrospermopsinBenz[c]acridine1-palmitoylglycerolN-(octadecanoyl)sphing-4-enine-1-phosphocholineD-mannosamine15-ketobimatoprost3-pyridinecarboxaldehyde3.beta.-tetrahydrocortisol, 3,21-diacetateEctoineN5-(1-iminoethyl)-l-ornithineAsn-Arg-LysButamifosDibenz(a,h)acridineKinetinMethapyrileneArg-Arg-LysAdenosine 5'-triphosphate (atp)4-chlorobutyric acid ethyl esterReserpineNormorphine5-methylbenzotriazoleBifenazateN-arachidonoyldopamineDL-prolineMethyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylateImazapyrGly-Glu(-)-trans-4-[4-(4'-fluorophenyl)-3-piperidinylmethoxy]-2-methoxyphenol4-androsten-17.beta.-ol-3-one glucosiduronate4-oxo-2-nonenalDl-cystathionineOctanoic acid, 2-[[4-[([1,1'-biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]-BrassicasterolCyclohexylamineL-carnosineMevinphosPyrantelTetrahydrofolateMyristoyl-l-carnitine2-deoxy-d-ribose(-)-caryophyllene oxide4-hydroxychalconeArginine4-ohe2-1-n7guaRicinineEurycomalactoneGuanosine 5'-diphospho-.alpha.-d-mannosePyridoxamine 5-phosphatePro-glyPalmitoleoyl 3-carbacyclic phosphatidic acidOxamylN-methyl-d-aspartic acidCimicifugoside h 2CinchonineBeta-alanineL-carnitineL-theanineTetrabenazineFexofenadineMaltopentaose.gamma.-heptalactoneN-lauroyl-d-erythro-sphinganineIsophoroneN-acetyl-l-tyrosine ethyl esterGamabufotalinOleamideMethylergonovineHeliotrinePro-GluProscillaridin aAflatoxin g1MoxonidineEthiofencarbPC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))Harmane15-deoxy-goyazensolideUrsocholic acidTaurohyodeoxycholic acid(+)-costunolideN-phenyl-2-naphthylamine4,7-dichloroquinolineN-butyryl-l-homoserine lactoneImazaquinBenzenemethanol, .alpha.-[(1r)-1-(methylamino)butyl]-, (.alpha.s)-rel-1,2-dioleoyl-sn-glycero-3-phosphatidylcholineGln-pro1,2-disinapoyl diglucosidePyraclonilPimpinellinDecanoyl-coa1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine5-methylisoxazol-3-amine3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-methylpyran-4-onePyridineL-saccharopine1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholineTrans-3,5-dimethoxy-4-hydroxycinnamaldehyde1,2-dilinoleoylglycerolTetrodotoxin1-o-hexadecyl-2-o-(5z,8z,11z,14z,17z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine5-aminovaleric acid2-methoxy-5-methylphenolTepraloxydimL-glutarylcarnitineG01-octadecyl-2-acetyl-sn-glycero-3-phosphocholine1-hexadecyl-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholineKarbutilateRutaecarpineD-ornithineBenzamideDiazinonhydrocortisone 21-acetateResibufogeninN6-(1-iminoethyl)-l-lysineClomazonSulfasalazineN.epsilon.-methyl-l-lysineAnthranoyllycoctonine3.alpha.,4.beta.-galactotrioseCyclopentolateN-octanoylsphingosineAdenosinePalmitoyl 3-carbacyclic phosphatidic acidCyclopiazonic acidPterostilbeneMatairesinolLobelanidineCis-11,14-eicosadienoic acidDauricineAcephateBicyclo-prostaglandin e2DL-threonineBetonicineMelatoninCyanidin 3,5-diglucoside20-hydroxy-n-(2-hydroxyethyl)-5z,8z,11z,14z-eicosatetraenamide7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone2-hexenalIsoproterenolAripiprazole4-methylcinnamic acidN6-threonylcarbamoyladenosinePhenol, 4-[2-[[2-benzo[b]thien-3-yl-9-(1-methylethyl)-9h-purin-6-yl]amino]ethyl]-Erucifoline4-piperidinecarboxamideSphingosine1-methylhistidineAzoxystrobin.gamma.-muricholic acidCalcimycin.alpha.-carboxybenzylpenicillinAlanine conjugated cholic acid1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholineTetrandrineBenzo[b]thiophene, 6-nitro-, 1,1-dioxide1h-indole-5-carboxylic acid, 1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methyl-1-oxopropyl)-Lys-LeuN-acetyl-d-galactosamineTelmisartanPsychosineLysineCys-Gly-Lys5-methylcytosineL-kynurenineLinoleoylcarnitineCabergolineTrp-Met-ArgPhenylacetaldehydeTrehaloseClindamycinBispyribacMeperidineN,n-diethylcathinoneNivalenol2-(2h-benzotriazol-2-yl)-4,6-di-tert-pentylphenol4-(4-chlorophenyl)-4-hydroxypiperidine4-tert-butyldimethylsilyloxynebivololFlavone base + 3o, c-pen, c-penS-methyl-5'-thioadenosineCyclosulfamuronLontrelChloramphenicol succinate[(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFructoselysine2-amino-1-phenylethanolTetrahydrozolineFlunisolide1-methyladenosineDodecanoic acid, 12-[[(cyclohexylamino)carbonyl]amino]-ProlintanePerseitolLithospermic acidNorethindrone 2,3,4-tri-o-acetyl-.beta.-d-glucuronide methyl esterD-glucosamine 6-phosphateNorcodeineGln-Thr-Lys1-naphthalenesulfonic acid, 8-(phenylamino)-Tris(hydroxymethyl)aminomethaneOleoyl ethylamideAtrazineDesogestrelTrans-4-(aminomethyl)cyclohexanecarboxylic acidBiflorinLys-CysTauroursodeoxycholic acid(.+/-.)-dropropizineGlycocholateChenodeoxycholate1-(1z-octadecenyl)-sn-glycero-3-phosphocholineBisphenol aGanciclovirPro-thr.beta.-d-glucopyranosiduronic acid, 4-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]butylN-.alpha.-(tert-butoxycarbonyl)-l-histidine6-(3-dimethylaminopropionyl)forskolinKetazolamSakuranetinSulfosulfuronHexaflumuron6-tert-butyl-3-methylsulfanyl-2h-1,2,4-triazin-5-one2'-o-methylcytidinePoncirinEsculetinHexamethylcyclotrisiloxane2-(5-oxovaleryl)phosphatidylcholineDL-isoleucineCarnitineTaurohyocholic acidHydroquinoneWogonin1-hexadecyl-2-(8z,11z,14z-eicosatrienoyl)-sn-glycero-3-phosphocholineHygromycin bN-hexadecanoyl-l-homoserine lactone.alpha.-d-glucose pentaacetate3-phenoxy-1-propanolMetazachlor4,5-epoxy-7z,10z,13z,16z,19z-docosapentaenoic acid, methyl esterN-acetylsulfamethoxazoleAsn-GlnTestosterone enanthateSkimmianineHinokiflavoneGeldanamycin, 17-demethoxy-17-[[2-(dimethylamino)ethyl]amino]-6,7-dimethoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-oneDobutamineBiocytin1-hexanamine, 6-[4-(1h-imidazol-1-yl)phenoxy]-n,n-dimethyl-StercobilinPamidronic acidHis-Glu-Arg4-hydroxy-l-glutamic acid7-methylguanineSpirotetramatBenzyl butyl phthalateTrifluoroperazineGly-Asp-LysSinomenineO-anisidineGeldanamycinSer-AspProcymidoneAzaconazole1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine2'-deoxyguanosine 5'-monophosphateAgmatineVerruculogenEpothilone bThr-Glu-LysTrigonellineUridine-5'-diphosphoglucoseIsoliquiritigeninPalmitoylserinolAcetohexamide3-hydroxycarbofuranStylopinePentoxifyllineTribenuron-methyl(-)-atropineForskolin5-methyl-2'-deoxycytidineBoscalid2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamineCytotrienin aThioetheramide-PCBromobutideArtemisininFenfluramineGanoderic acid h2-amino-3,8-dimethylimidazo[4,5-f ]quinoxalineCyphenothrin17alpha-hydroxyprogesterone.alpha.-ergocryptinePro-Cys-ArgThiamethoxamTriethanolamineHt-2 toxin3-dehydroepiandrosterone sulfate1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)Oleoyl-l-carnitine1-palmitoyl-2-linoleoyl-rac-glycerolLomeguatrib1-stearoyl-2-docosahexaenoyl-sn-glycerolPhenylalanineThymidine 5'-monophosphateTamoxifenErythromycylamineLatanoprostPro-leuPsoralidinGln-Gly-ArgPentaethylene glycolTangeritinSarafloxacinEicosapentaenoic acidAmprenavirLansoprazole2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserineQuinaprilEllipticineCuminaldehydeDihydroketoprofenAzithromycin2-hydroxyestradiolMorphinePromazineCreatineMesoporphyrin ix.beta.-nicotinamide adenine dinucleotide(NAD)Ofloxacin n-oxideGamma-glutamylleucineDiaveridineTyr-AspAuranofinFenbendazole2'-hydroxy-3-methoxychalcone2-hydroxyatrazineDipyridamoleTrp(dioxidation)-Cys2-naphthalenol, 1-[(2,4-dimethylphenyl)azo]-Guanidinosuccinic acidSimazineDoramapimodLys-Ile-LysSer-Pro-ArgFlusilazoleAsp-ArgCarvedilolMetribuzin4-bromoamphetamine1-hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholineBisphenol a diglycidyl etherDl-Leu-dl-Val4-amino-2,6-dinitrotolueneIonomycinEnterolactoneChloroquineLomefloxacinDiosminImibenconazoleApigenin 7-glucosideDibutyryl-cgmpArachidonoylglycineOleyl anilide1h-indole-1-acetic acid, 5-fluoro-2-methyl-3-(2-quinolinylmethyl)-1-Stearoyl-2-arachidonoyl-sn-glycerolDiacetoxyscirpenolDl-octopamine3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-oneCodeine-6-.beta.-d-glucuronideCatalpolCyromazinePhenanthridineSchweinfurthin ePro-Trp.gamma.-l-glu-.epsilon.-l-lys1,2-dithiolane-3-pentanamide, n,n'-1,3-propanediylbis-N-acetyl-d-lactosamine(+)-chlorpheniramineFamciclovirForchlorfenuronChitobioseFlavin mononucleotide (fmn)D-glucosaminic acidFenhexamidHistidineLntNormeperidineVoriconazoleArg-Glu-LysOxymorphone.beta.-estradiol 17-valeratePhenylbutazone1-stearoyl-2-arachidonyl-sn-glycero-3-phosphocholineTriamtereneMelezitoseFormononetinGlycerophosphocholine3-methyladenineDL-phenylalanineErgothioneineGlimepirideNorharmaneDeoxypeganineTyr-ProTetrahydro-l-biopterin1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholinePropazineEchinocystic acid1-palmitoyl-2-glutaryl phosphatidylcholineEthcathinone1-pentadecanoyl-sn-glycero-3-phosphocholineCycloxydime(r)-(+)-arachidonyl-1'-hydroxy-2'-propylamideTeniposideEdaravone2,4,6-tri-tert-butylaniline4-nitroanisoleFlurprimidolN-arachidonylmaleimideIle-Met2-methylpyrrolidine3.alpha.-hydroxy-7-oxo-5.beta.-cholanic acidCholineMaackiaineAsn-Gly-ArgMundulone acetate3-chloro-n,n-dimethylanilineDiethyl adipateLasiocarpineMethaqualone.beta.-homoprolineIsosakuranetinN-alpha-acetyl-l-lysine1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineAldosteroneHomatropineO-succinyl-l-homoserineIndirubin-3'-monoximeOxcarbazepineEthyl 3-indoleacetateBenzo(b)fluorantheneAnilineIle-Asp-LysSulprostone5-aminovaleric acid betaine.alpha.-guanidinoglutaric acid1-deoxynojirimycinL-pipecolic acidPhosphorylcholineChlormadinone acetateConvolidineCorydalineGlu-Ser1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine3-dehydrocarnitinePro-AspEquilinN-nervonoyl-d-erythro-sphingosylphosphorylcholineIrbesartanVisnaginSolasodineEchimidineDinaciclibHeptadecasphinganineSarsasapogeninPro-pro4'-o-.beta.-d-glucosyl-5-o-methylvisamminolFenamiphosHis-TyrPhthalic anhydrideDehydrophytosphingosine (not validated, isomer of 1677)Lauryldimethylamine oxideLeucineLuffariellolide7-diethylamino-4-methylcoumarinDinoseb methyl etherOxadixylCitalopramArg-Pro-ArgN-(2-acetamido)iminodiacetic acidIsovaleryl-l-carnitine1-methyl-l-histidine3-hydroxyoleylcarnitineFortunellinHis-AspCephalexinDihydralazineCurcuminPiperidine5-pyrimidinecarboxamide, 2-[(2,4-dichlorophenyl)amino]-n-[(tetrahydro-2h-pyran-4-yl)methyl]-4-(trifluoromethyl)-Piperlongumine6-benzylaminopurineMonoelaidin2-aminoadipic acidThiamet gPerifosinePrometryneArg-Ala-Lys2-((4r)-4-((3r,5r,6s,7r,9s,10r,13r,14s,17r)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid10-nitrooleic acidPhosphocholineXylitolPaclobutrazolBenz[a]anthraceneDocosatetraenoyl ethanolamideGlu-Val-LysCarminic acid(-)-.alpha.-kainic acidL-abrineAcenapthyleneL-bunololLatanoprost ethylamideSpiro[isobenzofuran-1(3h),9'-[9h]xanthene]-ar-carboxylic acid, 3',6'-bis(acetyloxy)-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester1-lauroyl-2-hydroxy-sn-glycero-3-phosphocholineLauramidopropylbetaine2'-hydroxy-2,4,4',5,6'-pentamethoxychalconeAspartameStearoylcarnitineAminoglutethimidePhe-hisFluopicolideNevadensinPidotimodProstaglandin i2Gln-Glu-ArgLys-ValVasicinoneParaoxonAngeloylgomisin hHydroxyflutamideTropinoneBiotin1,3-propanediol, 2-amino-2-[2-[4-[[6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexyl]oxy]phenyl]ethyl]-Benzeneacetamide, n-[(1s)-2-[[(3s)-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-VincamonePhenolLeu-AsnPheophorbide aNeomycinKeracyaninRiboflavin glucosideFumagillinPyrimidifenL-methionineAnilofosFulvestrant 9-sulfoneThiobencarb1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholineN-acetyl-l-aspartic acidDicyclominePropafenoneDeltamethrin1,2-dimethoxy-4-(2-propenyl)benzeneMelamineN-octanoyl-l-homoserine lactone2-(2',3',4'-trihydroxybutyl)quinoxalineIsoproturonTetrahydrogambogic acidAstilbin4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone5-hydroxyflavoneFenpropidinBenalaxylPentazocine1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineL-homoarginineN-oleoylethanolamineBetulinic acidBis(2,2,6,6-tetramethyl-4-piperidyl) sebacateUrea, n-[4-[4-amino-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-n'-[2-fluoro-5-(trifluoromethyl)phenyl]-CiprofloxacinCyanazineButorphanol10-formyl-7,8-dihydrofolic acidCis-13-docosenoic acidProtopineProstaglandin d1Prostaglandin d34-methylumbelliferyl .beta.-d-glucuronide3-[n,n-bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acidDoxorubicinBromadiolone4-aminophenyl-1-thio-.beta.-d-galactopyranosideN,n-dimethylsphingosineOctanoylcarnitineD-pyroglutamic acidG-guanidinobutyrateBuspironeDL-cysteineCandesartan cilexetilPro-Lys-ArgCytochalasin eAtractylenolide iHymexazolePemetrexedAcetamide, 2-[4-[(5,6-diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-n-(methylsulfonyl)-MethasteronePalmitoyl sphingomyelin8-acetyl-6-hydroxy-7-methoxycoumarinGeneticinFlavanone hydrazoneCyproconazoleImazamox4-chloro-o-toluidineCinoxacinAnilazineL-arabinitolN-nitrosopyrrolidinePindolol2-naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-Trans-zeatin1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholineN6-methyl-l-lysine1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamineEquolMyristicineDulcitol1,3,4,6-tetra-o-acetyl-.beta.-d-mannopyranoseIsoxanthopterinN-myristoylsphinganineReserpic acidBeclomethasonePyroquilonTestosterone cypionateObacunoneDiethanolamineSwainsonineThiamine3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid.gamma.-aminobutyric acidHuperzine bCatalposideZafirlukastDdaoCycloheximide4-(methylnitrosamino)-1-(3-pyridyl)-1-butanoneDehydroaripiprazoleArgininosuccinic acidMidazolam8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-onePro-hisMet-Met-Arg5.alpha.-cholest-7-en-3.beta.-olN-(phosphonomethyl)glycineLauric acid leelamideTrachelanthineUrea, n-[4-chloro-3-(trifluoromethyl)phenyl]-n'-[[3-(4-fluorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]methyl]-5-fluoro-3-(4-piperidinyl)-1,2-benzisoxazoleMetoclopramideStrictosidineXanomeline3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonateCortexolone1-Stearoyl-sn-glycerol 3-phosphocholineIsofraxidinDiphenylmethylphosphine8-acetyl-7-methoxycoumarin4-aminoantipyrine(-)-riboflavinTaurocholic acidPhe-proFingolimodSpectinomycin1-naphthalenamine1,2,4-triazin-5-amine, n-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-NorfloxacinAmmelineIle-His2,3-dinor-8-isoprostaglandin-f2.alpha.IsoprothiolaneSulfanitran1,3-benzenediol, 4-chloro-6-[5-[[2-(4-morpholinyl)ethyl]amino]-1,2-benzisoxazol-3-yl]-PerindoprilTrimethylamine n-oxideTolmetin1-hexadecyl-sn-glycero-3-phosphocholineGibberellin a4HydroxyprolineArg-GluZearalenoneTetraethylene glycolCeftriaxoneIpriflavoneProsapogenin a1-monolinoleoyl-rac-glycerolN-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z,8z,11z-tridecatrienamide3,5-dimethoxy-4-hydroxycinnamic acidRetinene3-deacetylsalanninBenzimidazoleSeneciphyllin5-methyl-5,6-dihydrouracilO-t-butyl-l-threonine methyl esterProsulfocarbPrimisulfuron-methyl.alpha.-iononeFlufenoxuron4-isoxazolepropanoic acid, .alpha.-amino-2,3-dihydro-5-methyl-3-oxo-PyridoxineN-(2-aminoethyl)-5-isoquinolinesulfonamideN-.alpha.-acetyl-l-ornithineCarbazoleDiacetyl1,2-diamino-2-methylpropaneRoseoflavinStachydrineCimifuginArachidonoyl ethanolamide2-hydroxyestronePalmitoleoyl ethanolamideHexaethylene glycolN-ethylmaleimideDendroamide b1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)DecamethylcyclopentasiloxaneSn-glycerol-3-phosphoethanolamineOrcinol .beta.-d-glucosidePro-ser4-aminophenol1,2-diarachidonoyl-sn-glycero-3-phosphocholine2-cis-4-trans-abscisic acidNeobavaisoflavoneBetaine5-(2-hydroxyethyl)-4-methylthiazoleD-erythro-imidazolylglycerol phosphateJasmonic acidGomisin cFluconazolePiperettineMesaconitine1-oleoyl-2-palmitoyl-rac-glycerol5-hydroxy-l-tryptophanCis-4-hydroxy-l-proline1-palmitoyl-2-lauroyl-sn-glycero-3-phosphorylcholineEnrofloxacinCytidineFurametpyrAla-Ala-ArgCarboplatin3-amino-2,3-dihydrobenzoic acidLpc 18:2LetrozoleMorphine-3-glucuronideEthylmorphine3-hydroxymandelic acidProstaglandin j2Alfentanyl2-linoleoylglycerol4-methylbenzyl alcoholThymolFluopyramGenipinPiperonyl sulfoxideRac-4-sulfoxypropranololMetolachlor-morpholinoneTris(2-butoxyethyl) phosphatePalmitamidePhytolaccasaponin GHis-ThrMethanone, [1-(5-fluoropentyl)-2-methyl-1h-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-1-myristoyl-2-hydroxy-sn-glycero-3-phosphoethanolamineTrioxsalenCadusafosGlutathione, oxidizedHalosulfuron-methylSphingomyelin (d18:1/18:0)Nootkatone1-o-hexadecyl-2-o-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine1-naphthalenemethanolTazobactam19-hydroxyandrost-4-ene-3,17-dione2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholineOxybutyninO-toluidineForamsulfuronIle-Asn7,8-dihydrobiopterinSpiroxamineEphedrineDapsone7-methoxychromanoneSucraloseFlutriafolGamma-l-glutamyl-l-glutamic acidBlood group a trisaccharideGly-Arg17-trifluoromethylphenyltrinorprostaglandin f2.alpha. isopropyl esterPyraclofosIndole-3-acetonitrileDl-norleucine methyl esterCytidine 5'-diphosphocholineThiamine monophosphatePicrotinProstaglandin f2.alpha. dimethylamideNg,ng-dimethyl-l-arginineGly-LeuCastanospermine6-ketoprostaglandin f1.alpha.PorphobilinogenPerchloroterephthalic acidPentostatinImazapicFlindersineThunalbene1-decanoyl-2-hydroxy-sn-glycero-3-phosphocholine2'-deoxycytidineLinezolidPodophyllotoxinGabapentinCombrestatin a4Roridin aCitrininDelsolineEthanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]-L-citrullineDaunorubicinVigabatrinLincomycinBisabolol oxide aMethyl deoxycholatePapaverineDihydromethysticinDl-normetanephrineNiacinamideRetigabineDihydrozeatin6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-Nordihydroguaiaretic acid1-palmitoyl-2-azelaoylphosphatidylcholineSecurinineBenzoic acid, 3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl) -4-isoxazolyl]methoxy]phenyl]ethenyl]-3-methylcytidineZeranolBis(2-ethylhexyl) sebacate25-hydroxycholesterolCrotamitonLeukotriene c4Val-Asp-ArgIsoorientinDimefuron2-methylbutyryl-l-carnitineChrysomycin aL-leucyl-l-prolineIsovitexin4,4'-methylenebis(2,6-di-tert-butylphenol)Myristamine oxideHarmineGossypol7-methylguanosine(2-bromophenyl)(3,5-dichloro-2-hydroxyphenyl)methanoneAcetyleugenol2'-hydroxy-3,4,4',6'-tetramethoxychalconePhytosphingosinePro-hypFluvastatin3,8''-biapigeninIndoleacrylic acidPropranololHarpagosidePhosphamidonTyrosine16-oxocafestolPurpurinO-phosphotyrosine2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acid2-palmitoyl-rac-glycerolLevamisoleHimbacineMethabenzthiazuronNorbuprenorphine glucuronide1-palmitoyl-sn-glycero-3-phosphocholineHypoxanthineBergaptolIndomethacinSesamosidePalmitoyl ethanolamideAcetyl-l-carnitineCamp16.alpha.-hydroxyestroneD-glutamine(-)-catechinPermethrinNevirapineAdenosine 2'-monophosphateAndrostan-3-ol-17-one 3-glucuronide2-hexyl-4-pentynoic acidPristimerinN-stearoylsphinganineTrans-3'-hydroxycotinine2'-fucosyllactoseHamamelitannin[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate4-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)piperidineTrans-crocetinTomatidin3,3-dimethylacrylic acidNicotinate d-ribonucleotideN-acetylglucosaminylasparagineO-t-butyl-l-serine, methyl esterOxaziclomefoneGardenin bEnoxacinAdenineSpirodiclofen2-arachidonoylglycerol1-Oleoyl-sn-glycero-3-phosphocholineOfurace1-Stearoyl-sn-glycerol 3-phosphocholine(LPC(18:0))IrigeninDeoxyvasicinoneChlorophacinone1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine1h-pyrrole-2-carboxamide, n-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1h-pyrazol-3-yl]-CocaineNaringenin-7-o-glucosideDL-tyrosineTrans-epoxysuccinyl-l-leucylamido(4-guanidino)butane7-hydroxyflavanone(cis+trans)-nerodilol4-(methylnitrosamino)-1-(3-pyridyl)-1-butanolPrimaquineEthyl 2,4-dihydroxy-6-methylbenzoateGartaninChelerythrinePipamperoneL-homophenylalanineCucurbitacin iMedroxyprogesterone 17-acetate2'-O-methyladenosine3'-fucosyllactoseCarnosolCucurbitacin bGentiopicrosideHexadecylacetylglycerolLasiocarpine n-oxide1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-PirimicarbMelibioseAla-GluAnserine6'-sialyllactoseMethotrexate3-MethylhistidineBenzoic acid, 3-[[(3-carboxycyclohexyl)amino]carbonyl]-4-[3-[4-[4-(cyclohexyloxy)butoxy]phenyl]propoxy]-Caffeine(z)-6-octadecenoic acidG2s2 neuac(2-6,2-3)AconineBeta-estradiolPyrazoxyfenGlycerophospho-n-oleoylethanolamineIsobutyryl-l-carnitineAcridine orange4-methyl-1h-pyrazoleAntipyrineMethyldopa5,10-methylene-thfTigecyclineIridinCapecitabineFludrocortisoneMepanipyrimHalofantrineTrp-Glu-Arg2-docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine1-myristoyl-sn-glycero-3-phosphocholineS-adenosyl-l-homocysteine1-palmitoyl-2-thiopalmitoyl phosphatidylcholineGlucose 1-phosphateStigmasta-4,22-dien-3-one4-hydroxycyclophosphamide(2r,3s,4s,5r,6r)-5-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diolAcrinathrin1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholineNisoldipine5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl]-3-methylpentanoic acid4-nitrosodiphenylamineIsopropylcocaine7-amino-4-methylcoumarinL-palmitoylcarnitineDl-3,4-dihydroxyphenyl glycolProtriptylineIsopropalinTrp-Val-LysMefenamic acidMecarbamAcetylcholinePenitrem aAdenosine 5'-monophosphateFluoreneLeu-GlnManoalideAdenosine 2',3'-cyclic monophosphateAnisatin2,6-dimethoxyphenolDibutyl phthalateCamostatN4-phthalylsulfathiazoleFlunixinDesisopropyldisopyramideChlorothiazideN-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1h-indole-3-carboxamideGlu-Asn-ArgIndole-3-acetamideTramadolNaproxen(2e,4e)-n-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide1,5-diaminonaphthalene1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineChrysosplenetinDeoxythymidine triphosphate1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholineErucamideCidofovirMaltoseL-hydroxyarginineN,n-dimethylformamideBufalinMethoxetamineMiltefosineOrthosulfamuronNoroxymorphone(2s)-2-[(1s,2r)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-oneHeptadecasphing-4-enineProtoporphyrin ixAzathioprineGenkwaninOphiobolin a17.beta.-nandrolone decanoateMethionine sulfoxideS-indoxacarbN,n,n-trimethyllysineD-glucosamineWiskostatin3-methyl-l-histidine7-demethylsuberosinSenecionine1-docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine1-heptadecanoyl-sn-glycero-3-phosphocholine1-acetylimidazoleIle-Glu-ArgDiethyltoluamideSuccinic acid n,n-dimethylhydrazideAlbizziin2-hydroxy-4-methylbenzoic acidIsopentenyladenosineTerfenadineImazethapyrArachidoyl ethanolamide3-formyl-5-methoxychromoneN-acetylhistidineProcyanidin a2Glu-Ser-ArgAnisomycinChrysinPhe-Glu-ArgGlycodeoxycholic acidBiopterinTobramycinTanshinone ifalseThe integration of network pharmacology and multiomics reveals the mechanism by which Malus hupehensis leaves inhibit acute liver injuryObjective: The leaves of Malus hupehensis (MH) are a medicinal and edible traditional Chinese medicine (TCM) with good liver protection, although its underlying mechanism remains unclear. In this study, a network pharmacology-integrated multi-omics method was used to explore the hepatoprotective mechanism of MH.Methods: The in vivo and in vitro components of MH were identified using ultra-performance liquid chromatography coupled with Q Exactive Orbitrap mass spectrometry (UPLC Q Exactive Orbitrap MS). The targets and related pathways through which MH inhibits acute liver injury (ALI) were predicted by network pharmacology. The liver protective potential of MH was evaluated in a carbon tetrachloride-induced ALI model in C57BL/6J mice. The mechanism of MH was explored by integrating network pharmacology and multi-omics and verified by immunohistochemistry, Western blot, and RT-qPCR analyses.Results: Our analysis revealed 121 in vitro and 20 in vivo components of MH. Network pharmacology analysis showed that the prototype components of MH, phlorizin and phloretin, were involved in inflammation and metabolism-related pathways. In vivo experiments revealed that MH significantly inhibited carbon tetrachloride-induced ALI in mice through antioxidant and anti-inflammatory effects. Combined network pharmacology and multi-omics analyses revealed that MH protected the liver by inhibiting the activation of the MAPK signaling pathway and regulating metabolic reprogramming, specifically with respect to lipid and amino acid metabolism.Conclusions: Our study suggests that MH exerts a protective effect against carbon tetrachloride-induced ALI in mice, potentially by inhibiting MAPK signaling and regulating lipid and amino acid metabolic reprogramming. These findings provide a preliminary basis for exploring MH as a potential candidate for the prevention and treatment of ALI.2026-05-012025-10-24MTBLS13219