Potency Ntawm Bisresorcinol Los Ntawm Heliciopsis Terminalis Ntawm Cov tawv nqaij laus: hauv Vitro Bioactivities Thiab Molecular Interactions Part 2

Kev tshawb nrhiav kev sib cuam tshuam ntawm molecular

Molecular docking tau siv los kwv yees qhov chaw sib txuas ntawm cov khoom sib txuas rau cov protein receptors, xws li collagenase, elastase, thiab tyrosinase, piv nrog cov paub inhibitors ntawm cov enzyme sib raug (Cov Lus Qhia Ntxiv). Raws li cov ntawv tshaj tawm yav dhau los, kev sib raug zoo ntawm kev sib raug zoo tau raug soj ntsuam thaum lub sijhawm kev sib raug zoo ntawm kev sib raug zoo tau piav qhia los ntawm qhov zoo tshaj plaws-predicted conformation (Teajaroen li al., 2020; Jewboonchu et al., 2020; Tanawattanasuntorn et al., 7 el., 2020; ).

Raws li cov kev tshawb fawb cuam tshuam, cistanche yog ib hom tshuaj ntsuab uas hu ua "cov tshuaj ntsuab muaj txuj ci uas ua rau lub neej ntev". Nws lub ntsiab tivthaiv yog cistanoside, uas muaj ntau yam teebmeem xws li antioxidant, tiv thaiv kev mob, thiab kev tiv thaiv kev ua haujlwm. Cov txheej txheem ntawm cistanche thiab tawv nqaij dawb yog nyob rau hauv cov nyhuv antioxidant ntawm cistanche glycosides. Melanin nyob rau hauv tib neeg daim tawv nqaij yog tsim los ntawm oxidation ntawm tyrosine catalyzed los ntawm tyrosinase, thiab cov tshuaj tiv thaiv oxidation yuav tsum muaj kev koom tes ntawm oxygen, yog li cov pa-dawb radicals nyob rau hauv lub cev ua ib qho tseem ceeb cuam tshuam rau melanin ntau lawm. Cistanche muaj cistanoside, uas yog ib qho antioxidant thiab tuaj yeem txo qhov tsim ntawm cov dawb radicals hauv lub cev, yog li inhibiting melanin ntau lawm.

Nyem rau ntawm Cistanches Herba Rau Whitening

Yog xav paub ntxiv:

david.deng@wecistanche.com WhatApp:86 13632399501

Rau cov enzyme collagenase, cov txiaj ntsig ntawm ligand-protein kev sib cuam tshuam tau pom hauv daim duab 3 thiab Table S1. Lub zog khi ntawm −5.89 kcal mol-1 rau clostridial collagenase (PDB ID 2Y6I) tau nthuav tawm los ntawm bisresorcinol. Ib qho kev sib txuas ntawm lub zog ntawm −3.68 thiab −7.90 kcal mol-1 tau txiav txim siab rau lwm tus paub txog collagenase inhibitors, suav nrog caffeic acid.

Ob qho tib si bisresorcinol thiab caffeic acid tau sib koom cov chaw sib txuas ntawm collagenase (Fig. 3A). Plaub lub luag haujlwm rau caffeic acid txuas nrog His524, Trp496, His527, thiab Trp539 (Fig. 3B). Nws 524 thiab Trp496 cuam tshuam caffeic acid los ntawm hydrogen bonds los ntawm carboxylic thiab phenolic hydroxyl pawg (s). Nws 527 thiab Trp539 txuas rau lub nplhaib phenolic los ntawm π-π stacking. Lwm cov amino acids nyob rau hauv lub hnab tshos enzyme pab txhawb lawv txoj kev khi los ntawm Van der Waals force (Fig. 3C). Kev sib cuam tshuam ntawm collagenase thiab bisresorcinol tau pom hauv daim duab. 3D thiab 3E, suav nrog Trp496 thiab Trp539 amino acids uas pub π-electrons rau kev sib raug zoo rau lub nplhaib phenolic ntawm bisresorcinol. Lub xub ntiag ntawm hydrogen bonds ntawm pawg hydroxyl ntawm bisresorcinol thiab amino acids Asp601 thiab Ser602 tau pom. Ntxiv mus, Zn atom nyob rau hauv lub enzyme active site tej zaum yuav koom tes nrog ob lub bisresorcinol thiab caffeic acid.

Muaj ib qho zoo sib xws hauv kev khi rau elastase ntawm bisresorcinol thiab ursolic acid (Fig. 4A). Hais txog ursolic acid, hydrogen bonding tau thov rau ib pawg cyclic aliphatic hydroxyl thiab Ser96, nrog rau pawg carboxylic thiab Asn192 (Fig. 4B thiab 4C). Interestingly, structural folding ntawm lub bisresorcinol yog presumed. Qhov no yuav pab txhawb kev sib cuam tshuam ntawm phenolic hydroxyl pawg ntawm cov compound thiab amino acids xws li Asn147, Ser190, Phe215, thiab Ser217 los ntawm hydrogen bonding (Fig. 4D thiab 4E).

Txhawm rau tshawb xyuas qhov kev sib raug zoo rau tyrosinase ntawm cov tebchaw, cov qauv siv lead ua ntawm nceb tyrosinase (PDB ID 2Y9X) tau siv. Cov txiaj ntsig tau tshwm sim hauv daim duab 5 thiab Table S3, qhia tias lub zog sib txuas ntawm bisresorcinol yog −6.57 kcal mol−1, ua nyob rau hauv thaj tsam ntawm −4.63 txog −8.12 kcal mol−1 rau lwm yam inhibitors paub. Nyob rau hauv sib piv, tag nrho cov paub substrates tau nruj nreem khi rau lub tyrosinase raws li ib tug loj heev txo ntawm lub zog khi rau ib tug ntau yam ntawm −15.46 thiab −23.94 kcal mol-1.

Kev sib koom tes covalent bonds ntawm cov hlau ions thiab -arbutin lossis bisresorcinol ntawm tyrosinase active site yuav tshwm sim. Txawm li cas los xij, tooj liab ions (Cu2 ntxiv) tau hloov los ntawm zinc ions (Zn2 ntxiv) hauv AutodockTool, vim hais tias lub zog teb rau Cu2 ntxiv tsis muaj thiab Cu2 ntxiv thiab Zn2 ntxiv ions zoo ib yam nyob rau hauv nqi thiab ntau thiab tsawg (Santos-Martins li al. ., 2014). Rau -arbutin, ib zinc ion yuav covalently khi rau phenolic hydroxyl pawg, thiab lwm zinc ion cuam tshuam nrog phenol nplhaib los ntawm π-cation daim ntawv cog lus nrog His259 thiab His263 residues (Fig. 5B thiab 5C). Tsis tas li ntawd, cov amino acids, xws li Asn260, Ser282, thiab Val283, yog txuas rau lawv cov hydroxyl pawg los ntawm hydrogen bonding. Muab cov bisresorcinol, pawg phenolic hydroxyl tsim hydrogen bonds nrog Met280, Ala 246, thiab Glu239. Lub π-π stacked kev sib cuam tshuam ntawm lub nplhaib phenol thiab His263, thiab π-cation attraction ntawm lwm lub nplhaib phenol thiab Arg321 tau pom txawv.

Hauv cov ntsiab lus, kev sib cuam tshuam ntawm cov molecular thiab kev sib koom ua ke ntawm bisresorcinol thiab collagenase, elastase, lossis tyrosinase tau tabulated hauv Table 2.

Kev sib tham

Curcuminoid, phenolic compound los ntawm Curcuma longa L., tau suav nrog ntau yam khoom siv tshuaj pleev ib ce ua cov tshuaj tiv thaiv kev laus (Gopinath & Karthikeyan, 2018). Txij li thaum muaj cov phenolic hydroxy determinants, cov bisresorcinol los ntawm H. terminals 'strunk tau cia siab tias yuav harbor anti-aging kev ua ub no raws li (Fig. 1). Hauv kev soj ntsuam hauv vitro inhibitory tsis ntev los no, bisresorcinol tau pom tias muaj kev cuam tshuam elastase thiab tyrosinase kev ua ub no ntau dua li collagenase counterpart (Fig. 2). Raws li, nyob rau hauv silico docking thwmsim tau ua kom paub tseeb khi affinity ntawm bisresorcinol cuam tshuam rau cov laus enzymes. Kev sib cuam tshuam txog π-electrons thiab hydrogen bonds tau suav tias yog qhov tseem ceeb rau kev txiav txim siab rau nws txoj kev khi. Ntxiv mus, kev sib cuam tshuam ntawm hydrophobic uas tshwm sim ntawm phenolic hydroxyl pawg thiab cov amino acid residues ntawm / ze ntawm qhov chaw enzyme active tej zaum yuav ua rau kom poob ntawm enzyme functions, muaj xws li cov ntaub ntawv yav dhau los (Medvidović-Kosanović et al., 2010; Pientaweeratch, Panapisal & Tansiikongkol, 2016). Ntawm no, kev khi cov yam ntxwv ntawm bisresorcinol rau txhua qhov enzyme tau piav qhia meej raws li kev sib piv cov qauv sib xws rau ib qho inhibitor tshwj xeeb. Inhibition of clostridial collagenase los ntawm caffeic acid, EGCG, quercetin, thiab catechin tau raug sau tseg (Szewczyk li al., 2020; Pluemsamran, Onkoksoong & Panich, 2012; Hong et al., 2014). Zoo ib yam li lwm cov inhibitors paub, pawg hydroxy phenol ntawm bisresorcinol tau pom zoo kom cuam tshuam nrog cov amino acids tseem ceeb ntawm collagenase khi qhov chaw los ntawm π-π kev sib cuam tshuam thiab hydrogen bonding. Interestingly, cov qauv hloov tau ntev ntawm bisresorcinol tuaj yeem quav lossis elongate. Yog li, thaum elongated, lub nplhaib phenol nyob rau sab nraud tuaj yeem khi rau cov amino acid residues ntawm qhov chaw ua haujlwm, ua rau muaj zog ntxiv zog. Nyob rau hauv txoj kev no, lub peev xwm inhibitory ntawm bisresorcinol ntawm collagenase kev ua haujlwm tau raug npaj (Daim duab 6).

Raws li kev pom zoo nrog kev tshawb fawb yav dhau los (Huang li al., 2013), khi rau elastase enzyme ntawm ob qho tib si bisresorcinol thiab paub inhibitors, xws li procyanidin, quercetin, thiab ursolic acid, zoo ib yam, koom nrog hydrogen bond tsim. Ntxiv mus, kev sib cuam tshuam ntawm bisresorcinol thiab cov amino acids sib nrug ntawm lub hnab tsho enzyme tau kwv yees los kho kom haum rau lub nplhaib unfolded phenol ntawm cov khoom (Fig. 7).

Muab tyrosinase inhibitory kev ua, inhibitors zoo li kojic acid, rutin, thiab L-mimosine, tau pom meej rau kev sib tw khi rau tyrosinase enzyme nrog L-tyrosine, ua rau inhibition ntawm melanin synthesis (Channar et al., 2018; Nguyen & Tawata, 2015. ; Si et al., 2012). Nyob rau hauv daim duab 8, π-π kev sib cuam tshuam ntawm ib qho kev sim tshuaj thiab histidine residues ntawm tooj liab active site ntawm tyrosinase tau pom zoo. Raws li kev pom zoo nrog kev tshawb fawb yav dhau los, qhov no tshwj xeeb tshaj yog muab kev piav qhia rau lwm yam kev cuam tshuam ntawm tyrosinase kev ua ntawm cov tebchaw (Lai li al., 2017). Lub cev pob txha phenolic hauv cov qauv tau cuam tshuam los ntawm kev tsim cov derivatives ntawm indanone (Jung li al., 2019) thiab thiazolyl resorcinol (Mann li al., 2018), txhawb kev siv bisresorcinol ua tus antagonist ntawm tyrosinase.

TEEB MEEM

Lub bisresorcinol tuaj yeem ua haujlwm rau kev sib tw inhibitor rau collagenase, elastase, thiab tyrosinase nrog cov qauv sib piv ntawm kev khi piv rau cov paub inhibitors. Txawm li cas los xij, cov qauv ntev thiab hloov tau yooj yim ntawm bisresorcinol tau nthuav dav hauv qhov kev cuam tshuam ntxiv ntawm lub nplhaib phenol tsis sib haum rau cov amino acids nyob sib ze ntawm cov enzymes yuav pom tseeb. Qhov kev tshawb pom no tau tshaj tawm thawj zaug thiab yuav muab lub tswv yim rau kev txhim kho cov khoom siv tshuaj pleev ib ce tshiab uas muaj bisresorcinol rau kev tiv thaiv kev laus thiab ua kom tawv nqaij. Txawm li cas los xij, muaj kev xav tau ntxiv los tshuaj xyuas nws lub zog hauv vivo thiab los ntawm kev sim tshuaj.

TXOJ CAI

Cov kws sau ntawv ua tsaug rau lwm cov chaw tshawb fawb, xws li Tsev Kawm Ntawv Qib Siab ntawm Prince of Songkla University; Drug Delivery System Excellence Center, Kws qhia ntawv ntawm Pharmaceutical Sciences, Prince of Songkla University; Kawm Tiav Tsev Kawm Ntawv ntawm Biomedical thiab Health Sciences (Pharmaceutical Sciences), Hiroshima University, Hiroshima, Nyiv; thiab Department of Biomedical Sciences thiab Biomedical Engineering, Kws Qhia Ntawv ntawm Tshuaj, Prince of Songkla University, Thaib teb.

Nyiaj txiag

Txoj haujlwm tshawb fawb no tau txais kev txhawb nqa nyiaj txiag los ntawm Royal Golden Jubilee Ph.D. Program (Ph.D./0151/2556), Thailand Research Fund (TRF), Thaib teb, thiab National Research Council of Thailand (NRCT). Cov neeg nrhiav nyiaj txiag tsis muaj lub luag haujlwm hauv kev kawm tsim, sau cov ntaub ntawv, thiab kev tshuaj xyuas, kev txiav txim siab tshaj tawm, lossis kev npaj cov ntawv sau.

Grant Disclosures

Cov ntaub ntawv nyiaj pab hauv qab no tau tshaj tawm los ntawm cov kws sau ntawv: Royal Golden Jubilee: Ph.D./0151/2556. Thailand Research Fund (TRF). Thaib teb, thiab National Research Council of Thailand (NRCT).

Kev nyiam sib tw

Cov kws sau ntawv tshaj tawm tias lawv tsis muaj kev nyiam sib tw.

Tus sau kev koom tes

· Charinrat Saechan tau xeeb thiab tsim cov kev sim, ua qhov kev sim, tshuaj xyuas cov ntaub ntawv, npaj cov duab thiab / lossis cov ntxhuav, sau lossis tshuaj xyuas cov ntawv sau, thiab pom zoo rau daim ntawv kawg.

· Uyen Hoang Nguyen tau ua qhov kev sim, tshuaj xyuas cov ntaub ntawv, npaj cov duab thiab / lossis cov ntxhuav, thiab pom zoo rau daim ntawv kawg.

·Zhichao Wang tau ua qhov kev sim, tshuaj xyuas cov ntaub ntawv, npaj cov duab thiab / lossis cov ntxhuav, thiab pom zoo rau daim ntawv kawg.

· Sachiko Sugimoto tau xeeb thiab tsim cov kev sim, sau lossis tshuaj xyuas cov ntawv sau tseg, thiab pom zoo rau daim ntawv kawg.

· Yoshi Yamano tau xeeb thiab tsim cov kev sim, sau lossis tshuaj xyuas cov ntawv sau tseg, thiab pom zoo rau daim ntawv kawg.

· Katsuyoshi Matsunami xeeb thiab tsim cov kev sim, sau lossis tshuaj xyuas cov ntawv sau tseg, thiab pom zoo rau daim ntawv kawg.

· Hideaki Otsuka tau ua qhov kev sim, sau lossis tshuaj xyuas cov ntawv sau tseg, thiab pom zoo rau daim ntawv kawg.

· Giang Minh Phan tau ua qhov kev sim, sau lossis tshuaj xyuas cov ntawv sau, thiab pom zoo rau daim ntawv kawg.

· Viet Hung Pham tau ua qhov kev sim, sau lossis tshuaj xyuas cov ntawv sau, thiab pom zoo rau daim ntawv kawg.

· Varomyalin Tipmanee tau xeeb tub thiab tsim cov kev sim, ua qhov kev sim, tshuaj xyuas cov ntaub ntawv, npaj cov duab thiab / lossis cov ntxhuav, sau lossis tshuaj xyuas cov ntawv sau, thiab pom zoo rau daim ntawv kawg.

· Jasadee Kaewsrichan tau xeeb thiab tsim cov kev sim, tshuaj xyuas cov ntaub ntawv, npaj cov duab thiab / lossis cov ntxhuav, sau lossis tshuaj xyuas cov ntawv sau, thiab pom zoo rau daim ntawv kawg.

Cov ntaub ntawv muaj

Cov ntaub ntawv hauv qab no tau muab qhia txog cov ntaub ntawv muaj:

Cov ntaub ntawv nyoos rau IC50 qhov tseem ceeb ntawm bisresorcinal thiab cov qauv zoo rau kev soj ntsuam enzymatic inhibitory hais txog collagenase, elastase, thiab tyrosinase muaj nyob rau hauv Cov Ntaub Ntawv Ntxiv.

Cov ntaub ntawv ntxiv

Cov ntaub ntawv ntxiv rau kab lus no tuaj yeem pom hauv online.

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