Wild edible Termitomyces mushrooms are popular in Southwest China and umami is important flavor qualities of edible mushrooms.This study aimed to understand the umami taste of Termitomyces intermedius and Termitomyces...Wild edible Termitomyces mushrooms are popular in Southwest China and umami is important flavor qualities of edible mushrooms.This study aimed to understand the umami taste of Termitomyces intermedius and Termitomyces aff.bulborhizus.Ten umami peptides from aqueous extracts were separated using a Sephadex G-15 gel filtration chromatography.The intense umami fraction was evaluated by both sensory evaluation and electronic tongue.They were identified as KLNDAQAPK,DSTDEKFLR,VGKGAHLSGEH,MLKKKKLA,SLGFGGPPGY,TVATFSSSTKPDD,AMDDDEADLLLLAM,VEDEDEKPKEK,SPEEKKEEET and PEGADKPNK.Seven peptides,except VEDEDEKPKEK,SPEEKKEEET and PEGADKPNK were selectively synthesized to verify their taste characteristics.All these 10 peptides had umami or salt taste.The 10 peptides were conducted by molecular docking to study their interaction with identified peptides and the umami taste receptor T1R1/T1R3.All these 10 peptides perfectly docked the active residues in the T1R3 subunit.Our results provide theoretical basis for the umami taste and address the umami mechanism of two wild edible Termitomyces mushrooms.展开更多
Objective To explore the medication rules of traditional Chinese medicine(TCM)and mechanism of action of hub herb pairs for treating insomnia.Methods Totally 104 prescriptions were statistically analyzed.The associati...Objective To explore the medication rules of traditional Chinese medicine(TCM)and mechanism of action of hub herb pairs for treating insomnia.Methods Totally 104 prescriptions were statistically analyzed.The association rule algorithm was applied to mine the hub herb pairs.Network pharmacology was utilized to analyze the mechanism of the hub herb pairs,while molecular docking was applied to simulate the interaction between receptors and herb molecules,thereby predicting their binding affinities.Results The most frequently used herbs in TCM prescriptions for treating insomnia included Semen Ziziphi Spinosae,Radix Glycyrrhizae,Radix et Rhizoma Ginseng,and Poria cum Radix Pini.Among them,the most commonly used were the supplementing herbs,followed by heat-clearing,mind-calming,and exterior-releasing ones,with their properties of warm and cold,flavors of sweet,Pungent,and bitter,and meridian tropisms of liver,lungs,spleen,kidneys,heart,and stomach.The hub herb pairs based on the association rules included Radix Astragali-Radix et Rhizoma Ginseng,Rhizoma Chuanxiong-Radix Glycyrrhizae,Seman Platycladi-Semen Ziziphi Spinosae,Pericarpium Citri Reticulatae-Radix Glycyrrhizae,Radix Polygalae-Semen Ziziphi Spinosae,and Radix Astragali-Semen Ziziphi Spinosae.Network pharmacology revealed that the cAMP signaling pathway might play a key role in treating insomnia synergistically with HIF-1 signaling pathway,prolactin signaling pathway,chemical carcinogenesis receptor activation,and PI3K-Akt signaling pathway.Molecular docking indicated that there was good binding between the active ingredients of the hub herb pairs and the hub targets.Conclusions This study identified six hub herb pairs for treating insomnia in TCM.These hub herb pairs may synergistically treat insomnia with HIF-1 signaling pathway,prolactin signaling pathway,chemical carcinogenesis receptor activation,and PI3K-Akt signaling pathway through the cAMP signaling pathway.展开更多
With the development of space technology,it is possible to build a space station in Earth-Moon space as a transit for Earth-Moon round-trip and entering in the deep space.Rendezvous and docking is one of the key techn...With the development of space technology,it is possible to build a space station in Earth-Moon space as a transit for Earth-Moon round-trip and entering in the deep space.Rendezvous and docking is one of the key technologies for building an Earth-Moon space station.A guidance strategy for rendezvous and docking from the Earth orbit to the space station in the Earth-Moon NRHO orbit is proposed in this paper,which is suitable for engineering applications.Firstly,the rendezvous and docking process is divided into three sections,i.e.,the large-range orbit transfer section,far-range guidance section,and close-range approaching section.The suitable terminal of large-range orbit transfer is selected according to the eigenvalue of NRHO orbit state transition matrix.The two-impulse guidance method based on the relative motion equation in the three-body problem is adopted for the far-range guidance section.The impulse time and amplitude are solved with the optimization algorithm.The linear constant three-body relative motion equation is proposed for the close-range approaching section,and the rendezvous and docking is completed by a two-stage linear approximation.Finally,a simulation analysis is carried out,and the simulation results show that the adopted dynamics equations and the designed guidance law are effective,and the three flight phases are naturally connected to accomplish the rendezvous and docking mission from the Earth orbit to the space station on the Earth-Moon NRHO.展开更多
Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual...Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual screening,molecular docking,and electronic tongue analysis.First,the O.mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program.Subsequently,water-soluble and toxicity screening were performed by Innovagen and ToxinPred software,respectively.The potential peptides were docked with umami receptor T1R1/T1R3.Furthermore,taste properties of potential peptides were validated by electronic tongue.Docking results suggested that the three tetrapeptide EANK,EEAK,and EMQK could enter the binding pocket in the T1R1 cavity,wherein Arg151,Asp147,Gln52,and Arg277 may play key roles in the production of umami taste.Electronic tongue results showed that the umami value of EANK,EEAK,and EMQK were stronger than monosodium glutamate.This work provides a new insight for the screening of umami peptides in O.mykiss.展开更多
Glabridin is the main ingredient of hydrophobic fraction in licorice extract and has been shown to have anti-melanogenesis activity in skins.However,the underlying mechanism(s)remain not completely understood.The aim ...Glabridin is the main ingredient of hydrophobic fraction in licorice extract and has been shown to have anti-melanogenesis activity in skins.However,the underlying mechanism(s)remain not completely understood.The aim of this study is thus to elucidate the possible mechanisms related to the melanogenesis suppression by glabridin in cultured B16 murine melanoma cells and in UVA radiation induced hyperpigmentation model of BALB/c mice as well.Molecular docking simulations revealed that between catalytic core residues and the compound.The treatment by glabridin significantly downregulated both transcriptional and/or protein expression of melanogenesis-related factors including melanocyte stimulating hormone receptor(MC1R),microphthalmia-associated transcription factor(MITF),tyrosinase(TYR),TYR-related protein-1(TRP-1)and TRP-2 in B16 cells.Both PKA/MITF and MAPK/MITF signaling pathways were found to be involved in the suppression of melanogenesis by glabridin in B16 cells.Also in vivo glabridin therapy significantly reduced hyperpigmentation,epidermal thickening,roughness and inflammation induced by frequent UVA exposure in mice skins,thus beneficial for skin healthcare.These data further look insights into the molecular mechanisms of melanogenesis suppression by glabridin,rationalizing the application of the natural compound for skin healthcare.展开更多
The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that t...The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that tripeptide EEK from ovalbumin exhibited potent XO inhibitory activity with an IC50 value of 141μmol/L.The molecular docking results showed that tripeptide EEK bound with the active center of XO via 3 carbon hydrogen bond interactions,2 salt bridges,5 conventional hydrogen bond interactions,and 4 attractive charge interactions.The residues Glu802,Phe1009,and Arg880 may play key roles in the XO catalytic reaction.Especially,the key intermolecular forces of inhibiting XO activity may be special type of hydrogen bonds including carbon hydrogen bond interactions and attraction charge interactions.The novel tripeptide EEK is potential candidates for controlling hyperuricemia.展开更多
Plant flavonoids have received considerable attention for their health benefits.However,structure-activity relationships between flavonoids such as orientin and vitexin with similar structures are rarely reported.In t...Plant flavonoids have received considerable attention for their health benefits.However,structure-activity relationships between flavonoids such as orientin and vitexin with similar structures are rarely reported.In the present study,molecular docking study suggested that orientin and vitexin suppressed inflammatory responses through the modulation of the mitogen-activated protein kinase(MAPK)signaling pathway.Moreover,RAW264.7 cells with lipopolysaccharide-induced inflammation were used to evaluate the anti-inflammatory activities of orientin and vitexin,based on the inflammation-related cytokines production,quantitative real-time reverse transcription PCR,and western blotting analysis.As a result,orientin or vitexin attenuated inflammatory responses through modulation of the MAPK/NF-κB signaling pathway by suppressing NF-κB translocation.展开更多
A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,...A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,the structure of the manipulator-type HIL simulation system is explained.The mass and the flexibility of the manipulator has an important influence on the stability of the HIL system,which is the premise of accurately simulating actual space docking.Thus,the docking HIL simulation models of rigid,flexible and flexible-light space manipulators are established.The characteristics of the three HIL systems are studied from three important aspects:the system parameter configuration relation,the system stability condition and the dynamics frequency simulation ability.The key conclusions obtained were that the system satisfies stability or reproduction accuracy.Meanwhile,the influence of different manipulators on the system stability is further analyzed.The accuracy of the calculated results is verified experimentally.展开更多
Joint clearance,as an important stochastic factor,can significantly deteriorate positioning and repeatability accuracies and lower assembly quality of a 6-DOF docking mechanism.Considering pose accuracy with tradition...Joint clearance,as an important stochastic factor,can significantly deteriorate positioning and repeatability accuracies and lower assembly quality of a 6-DOF docking mechanism.Considering pose accuracy with traditional error model that possesses inherent imprecision,both probabilistic and deterministic approaches based on forward kinematics are presented to analyze comprehensive pose error(CPE)in simulation.Results indicate an identical trend emerges for each CPE with both approaches,and both CPEs perform opposite variations as the moving platform upgrades.The findings provide theoretical reference for refinement of assembly quality evaluation of this mechanism.展开更多
In this paper,a new kind of flexible cone composed of the thin-walled plates based on space probecone docking mechanism for small-sized spacecraft is presented.The theoretical model of docking impact dynamics,which ta...In this paper,a new kind of flexible cone composed of the thin-walled plates based on space probecone docking mechanism for small-sized spacecraft is presented.The theoretical model of docking impact dynamics,which takes into account the additional stiffness terms,is derived based on Lagrange Analytical Mechanics theory and Hertz contact theory.Finite element method is employed for the discretization of the thin-walled plate.The results show that the traditional dynamic model without considering the additional stiffness terms will be difficult to reach steady state.The method proposed in this paper can correctly predict the dynamic behavior of the system.展开更多
Refueling docking at different velocities is simulated by using computational fluid dynamics(CFD)method.The Osher scheme and S-A turbulence model are used to solve the compressible Navier-Stokes equations,and the Dela...Refueling docking at different velocities is simulated by using computational fluid dynamics(CFD)method.The Osher scheme and S-A turbulence model are used to solve the compressible Navier-Stokes equations,and the Delaunay mapping dynamic grid method is also employed.All the numerical results show that the velocity of refueling docking is very important for aerial refueling.When the velocity is lower than 3m/s,the refueling drogue will move upward with obvious cycle staggering,while moving upward with slight cycle staggering at the speed of3m/s.The results can be referenced by aerial refueling design.展开更多
The prediction of protein–protein complex structures is crucial for fundamental understanding of celluar processes and drug design. Despite significant progresses in the field, the accuracy of ab initio docking witho...The prediction of protein–protein complex structures is crucial for fundamental understanding of celluar processes and drug design. Despite significant progresses in the field, the accuracy of ab initio docking without using any experimental restraints remains relatively low. With the rapid advancement of structural biology, more and more information about binding can be derived from experimental data such as NMR experiments or chemical cross-linking. In addition, information about the residue contacts between proteins may also be derived from their sequences by using evolutionary analysis or deep learning. Here, we propose an efficient approach to incorporate interface residue restraints into protein–protein docking, which is named as HDOCKsite. Extensive evaluations on the protein–protein docking benchmark 4.0 showed that HDOCKsite significantly improved the docking performance and obtained a much higher success rate in binding mode predictions than original ab initio docking.展开更多
Research on theory and technology of NC docking mechanism between the spacevehicle and the space sta tion undertaken by Prof Zhu Jianying of NUAA,has recently passed appraisal organizd by the Iang-su Provincial Office...Research on theory and technology of NC docking mechanism between the spacevehicle and the space sta tion undertaken by Prof Zhu Jianying of NUAA,has recently passed appraisal organizd by the Iang-su Provincial Office of Science,T ech nology and Industry for Na tional Defense.展开更多
In order to assess the possible collision effect, a numerical simulation for the upper module and spar platlbrm docking at the speed of 0.2 m/s was conducted by using the software ANSYS/LS-DYNA, and the time history o...In order to assess the possible collision effect, a numerical simulation for the upper module and spar platlbrm docking at the speed of 0.2 m/s was conducted by using the software ANSYS/LS-DYNA, and the time history of the collision force, energy absorption and structural defonamtion during the collision was described. The purpose was to ensure that the platlbrm was safely put into operation. Furthermore, this paper analyzes different initial velocities and angles on the Von Mises stress and collision resultant force during the docking collision. The results of this paper showed that the docking could be conducted with higher security. The data in this paper can provide useful references for the determination of the upper module＇s offshore hoisting scheme and practical construction by contrasting the numerical simulation results of the parameters on the docking collision.展开更多
Oyster(Crassostrea gigas),the main ingredient of oyster sauce,has a strong umami taste.In this study,three potential umami peptides,FLNQDEEAR(FR-9),FNKEE(FE-5),and EEFLK(EK-5),were identified and screened from the alc...Oyster(Crassostrea gigas),the main ingredient of oyster sauce,has a strong umami taste.In this study,three potential umami peptides,FLNQDEEAR(FR-9),FNKEE(FE-5),and EEFLK(EK-5),were identified and screened from the alcoholic extracts of the oyster using nano-HPLC-MS/MS analysis,i Umami-Scoring Card Method(i Umami-SCM)database and molecular docking(MD).Sensory evaluation and electronic tongue analysis were further used to confirm their tastes.The threshold of the three peptides ranged from 0.38 to 0.55 mg/m L.MD with umami receptors T1R1/T1R3 indicated that the electrostatic interaction and hydrogen bond interaction were the main forces involved.Besides,the Phe592 and Gln853 of T1R3 were the primary docking site for MD and played an important role in umami intensity.Peptides with two Glu residues at the terminus had stronger umami,especially at the C-terminus.These results contribute to the understanding of umami peptides in oysters and the interaction mechanism between umami peptides and umami receptors.展开更多
The taste presentation and receptor perception mechanism of the salty peptide of Stropharia rugosoannulata were predicted and verified using peptide omics and molecular interaction techniques.The combination of aspart...The taste presentation and receptor perception mechanism of the salty peptide of Stropharia rugosoannulata were predicted and verified using peptide omics and molecular interaction techniques.The combination of aspartic acid(D)and glutamic acid(E),or peptide fragments composed of arginine(R),constitute the characteristic taste structural basis of salty peptides of S.rugosoannulata.The taste intensity of the salty peptide positively correlates with its concentration within a specific concentration range(0.25–1.0 mg/mL).The receptor more easily recognizes the first amino acid residue at the N-terminal of salty peptides and the aspartic acid residue in the peptides.GLU513,ASP707,and VAL508 are the critical amino acid residues for the receptor to recognize salty peptides.TRPV1 is specifically the receptor for recognizing salty peptides.Hydrogen bonds and electrostatic interactions are the main driving forces for the interactions between salty peptides and TRPV1 receptors.KSWDDFFTR has the most potent binding capacity with the receptor and has tremendous potential for application in sodium salt substitution.This study confirmed the taste receptor that specifically recognizes salty peptides,analyzed the receptor-peptide binding interaction,and provided a new idea for understanding the taste receptor perception of salty peptides.展开更多
In this study,10 novel anti-inflammatory peptides were identified from duck liver,and their molecular mechanism was demonstrated based on machine learning and molecular docking.Using Sephadex G-15 gel chromatography s...In this study,10 novel anti-inflammatory peptides were identified from duck liver,and their molecular mechanism was demonstrated based on machine learning and molecular docking.Using Sephadex G-15 gel chromatography separation,reversed-phase high-performance liquid chromatography purification,liquid chromatography-tandem mass spectrometry identification,and BIOPEP database comparison,10 novel antiinflammatory peptides were initially found.Their splendid angiotensin-converting enzyme(ACE)inhibition and anti-inflammatory properties were confirmed by machine learning.With binding energies less than–20.93 kJ/mol,molecular docking revealed that they could efficiently bind to the active pockets of tumor necrosis factorα(TNF-α),interleukin 6(IL-6),cyclooxygenase 2(COX-2),and nuclear factorκB(NF-κB)proteins with efficiency,indicating that the compounds can spontaneously form complexes through hydrogen bonding and hydrophobic interactions with the protein binding pockets.In the lipopolysaccharide-induced RAW264.7 cell model,the release of NO,TNF-α,and IL-6 and the mRNA expression of inflammatory factors(TNF-α,IL-6,COX-2,and NF-κB)were significantly inhibited by these peptides.We concluded it might be due to their anti-inflammatory effects by inhibiting the protein phosphorylation of inhibitor of NF-κB(IκBα)in the cytoplasm and preventing the translocation of NF-κB p65 in the cytoplasm to the nucleus,thereby regulating the NF-κB signaling pathway.This study is essential for the screening of anti-inflammatory peptides and the investigation of the mechanism of action.展开更多
Walnut dreg protein hydrolysates(WDPHs)exhibit a variety of biological activities,however,the cyclooxygenase-2(COX-2)inhibitory peptide of WDPHs remain unclear.The aim of this study was to rapidly screen for such pept...Walnut dreg protein hydrolysates(WDPHs)exhibit a variety of biological activities,however,the cyclooxygenase-2(COX-2)inhibitory peptide of WDPHs remain unclear.The aim of this study was to rapidly screen for such peptides in WDPHs through a combination of in silico and in vitro analysis.In total,1262 peptide sequences were observed by nano liquid chromatography/tandem mass spectrometry(nano LC-MS/MS)and 4 novel COX-2 inhibitory peptides(AGFP,FPGA,LFPD,and VGFP)were identified.Enzyme kinetic data indicated that AGFP,FPGA,and LFPD displayed mixed-type COX-2 inhibition,whereas VGFP was a non-competitive inhibitor.This is mainly because the peptides form hydrogen bonds and hydrophobic interactions with residues in the COX-2 active site.These results demonstrate that computer analysis combined with in vitro evaluation allows for rapid screening of COX-2 inhibitory peptides in walnut protein dregs.展开更多
基金supported by the Yunnan Key Project of Science and Technology(202202AE090001)Postdoctoral Directional Training Foundation of Yunnan Province(E23174K2)Postdoctoral Research Funding Projects of Yunnan Province,China(E2313442)。
文摘Wild edible Termitomyces mushrooms are popular in Southwest China and umami is important flavor qualities of edible mushrooms.This study aimed to understand the umami taste of Termitomyces intermedius and Termitomyces aff.bulborhizus.Ten umami peptides from aqueous extracts were separated using a Sephadex G-15 gel filtration chromatography.The intense umami fraction was evaluated by both sensory evaluation and electronic tongue.They were identified as KLNDAQAPK,DSTDEKFLR,VGKGAHLSGEH,MLKKKKLA,SLGFGGPPGY,TVATFSSSTKPDD,AMDDDEADLLLLAM,VEDEDEKPKEK,SPEEKKEEET and PEGADKPNK.Seven peptides,except VEDEDEKPKEK,SPEEKKEEET and PEGADKPNK were selectively synthesized to verify their taste characteristics.All these 10 peptides had umami or salt taste.The 10 peptides were conducted by molecular docking to study their interaction with identified peptides and the umami taste receptor T1R1/T1R3.All these 10 peptides perfectly docked the active residues in the T1R3 subunit.Our results provide theoretical basis for the umami taste and address the umami mechanism of two wild edible Termitomyces mushrooms.
基金National Natural Science Foundation of China(82360905)Gansu Provincial University Teachers'Innovation Fund Projects(2023A-092 and 2024B-109).
文摘Objective To explore the medication rules of traditional Chinese medicine(TCM)and mechanism of action of hub herb pairs for treating insomnia.Methods Totally 104 prescriptions were statistically analyzed.The association rule algorithm was applied to mine the hub herb pairs.Network pharmacology was utilized to analyze the mechanism of the hub herb pairs,while molecular docking was applied to simulate the interaction between receptors and herb molecules,thereby predicting their binding affinities.Results The most frequently used herbs in TCM prescriptions for treating insomnia included Semen Ziziphi Spinosae,Radix Glycyrrhizae,Radix et Rhizoma Ginseng,and Poria cum Radix Pini.Among them,the most commonly used were the supplementing herbs,followed by heat-clearing,mind-calming,and exterior-releasing ones,with their properties of warm and cold,flavors of sweet,Pungent,and bitter,and meridian tropisms of liver,lungs,spleen,kidneys,heart,and stomach.The hub herb pairs based on the association rules included Radix Astragali-Radix et Rhizoma Ginseng,Rhizoma Chuanxiong-Radix Glycyrrhizae,Seman Platycladi-Semen Ziziphi Spinosae,Pericarpium Citri Reticulatae-Radix Glycyrrhizae,Radix Polygalae-Semen Ziziphi Spinosae,and Radix Astragali-Semen Ziziphi Spinosae.Network pharmacology revealed that the cAMP signaling pathway might play a key role in treating insomnia synergistically with HIF-1 signaling pathway,prolactin signaling pathway,chemical carcinogenesis receptor activation,and PI3K-Akt signaling pathway.Molecular docking indicated that there was good binding between the active ingredients of the hub herb pairs and the hub targets.Conclusions This study identified six hub herb pairs for treating insomnia in TCM.These hub herb pairs may synergistically treat insomnia with HIF-1 signaling pathway,prolactin signaling pathway,chemical carcinogenesis receptor activation,and PI3K-Akt signaling pathway through the cAMP signaling pathway.
基金National Natural Science Foundation of China(U20B2054)。
文摘With the development of space technology,it is possible to build a space station in Earth-Moon space as a transit for Earth-Moon round-trip and entering in the deep space.Rendezvous and docking is one of the key technologies for building an Earth-Moon space station.A guidance strategy for rendezvous and docking from the Earth orbit to the space station in the Earth-Moon NRHO orbit is proposed in this paper,which is suitable for engineering applications.Firstly,the rendezvous and docking process is divided into three sections,i.e.,the large-range orbit transfer section,far-range guidance section,and close-range approaching section.The suitable terminal of large-range orbit transfer is selected according to the eigenvalue of NRHO orbit state transition matrix.The two-impulse guidance method based on the relative motion equation in the three-body problem is adopted for the far-range guidance section.The impulse time and amplitude are solved with the optimization algorithm.The linear constant three-body relative motion equation is proposed for the close-range approaching section,and the rendezvous and docking is completed by a two-stage linear approximation.Finally,a simulation analysis is carried out,and the simulation results show that the adopted dynamics equations and the designed guidance law are effective,and the three flight phases are naturally connected to accomplish the rendezvous and docking mission from the Earth orbit to the space station on the Earth-Moon NRHO.
基金supported by The National Key R&D Program of China (2019YFD0901702)
文摘Oncorhynchus mykiss is delicious and contains abundant flavor substances.However,few studies focused on umami peptides of O.mykiss.In the current work,umami peptides derived from O.mykiss were identified using virtual screening,molecular docking,and electronic tongue analysis.First,the O.mykiss protein was hydrolyzed using the PeptideCutter online enzymolysis program.Subsequently,water-soluble and toxicity screening were performed by Innovagen and ToxinPred software,respectively.The potential peptides were docked with umami receptor T1R1/T1R3.Furthermore,taste properties of potential peptides were validated by electronic tongue.Docking results suggested that the three tetrapeptide EANK,EEAK,and EMQK could enter the binding pocket in the T1R1 cavity,wherein Arg151,Asp147,Gln52,and Arg277 may play key roles in the production of umami taste.Electronic tongue results showed that the umami value of EANK,EEAK,and EMQK were stronger than monosodium glutamate.This work provides a new insight for the screening of umami peptides in O.mykiss.
基金supported by the Inner Mongolia Autonomous Region Science and Technology Revitalization Foundation (2021CG0029)the National Natural Science Foundation of China (22178070)
文摘Glabridin is the main ingredient of hydrophobic fraction in licorice extract and has been shown to have anti-melanogenesis activity in skins.However,the underlying mechanism(s)remain not completely understood.The aim of this study is thus to elucidate the possible mechanisms related to the melanogenesis suppression by glabridin in cultured B16 murine melanoma cells and in UVA radiation induced hyperpigmentation model of BALB/c mice as well.Molecular docking simulations revealed that between catalytic core residues and the compound.The treatment by glabridin significantly downregulated both transcriptional and/or protein expression of melanogenesis-related factors including melanocyte stimulating hormone receptor(MC1R),microphthalmia-associated transcription factor(MITF),tyrosinase(TYR),TYR-related protein-1(TRP-1)and TRP-2 in B16 cells.Both PKA/MITF and MAPK/MITF signaling pathways were found to be involved in the suppression of melanogenesis by glabridin in B16 cells.Also in vivo glabridin therapy significantly reduced hyperpigmentation,epidermal thickening,roughness and inflammation induced by frequent UVA exposure in mice skins,thus beneficial for skin healthcare.These data further look insights into the molecular mechanisms of melanogenesis suppression by glabridin,rationalizing the application of the natural compound for skin healthcare.
基金supported by Beijing Advanced Innovation Center for Food Nutrition and Human Health(20181036).
文摘The purpose of this study was to screen the xanthine oxidase(XO)inhibitory peptides from egg white proteins through virtual hydrolysis,in vitro activity validation,and molecular docking.The results demonstrated that tripeptide EEK from ovalbumin exhibited potent XO inhibitory activity with an IC50 value of 141μmol/L.The molecular docking results showed that tripeptide EEK bound with the active center of XO via 3 carbon hydrogen bond interactions,2 salt bridges,5 conventional hydrogen bond interactions,and 4 attractive charge interactions.The residues Glu802,Phe1009,and Arg880 may play key roles in the XO catalytic reaction.Especially,the key intermolecular forces of inhibiting XO activity may be special type of hydrogen bonds including carbon hydrogen bond interactions and attraction charge interactions.The novel tripeptide EEK is potential candidates for controlling hyperuricemia.
基金financially supported by the National Natural Science Foundation of China(Grant No.31902204)the Public Welfare Project of Huzhou,China(Grant No.2018GZ28)the Start-up fund of Jiangsu University of Science and Technology(No.1182932009)。
文摘Plant flavonoids have received considerable attention for their health benefits.However,structure-activity relationships between flavonoids such as orientin and vitexin with similar structures are rarely reported.In the present study,molecular docking study suggested that orientin and vitexin suppressed inflammatory responses through the modulation of the mitogen-activated protein kinase(MAPK)signaling pathway.Moreover,RAW264.7 cells with lipopolysaccharide-induced inflammation were used to evaluate the anti-inflammatory activities of orientin and vitexin,based on the inflammation-related cytokines production,quantitative real-time reverse transcription PCR,and western blotting analysis.As a result,orientin or vitexin attenuated inflammatory responses through modulation of the MAPK/NF-κB signaling pathway by suppressing NF-κB translocation.
基金Supported by the National Natural Science Foundation of China(51475116)。
文摘A manipulator-type docking hardware-in-the-loop(HIL)simulation system is proposed in this paper,with further development of the space docking technology and corresponding requirements of the engineering project.First,the structure of the manipulator-type HIL simulation system is explained.The mass and the flexibility of the manipulator has an important influence on the stability of the HIL system,which is the premise of accurately simulating actual space docking.Thus,the docking HIL simulation models of rigid,flexible and flexible-light space manipulators are established.The characteristics of the three HIL systems are studied from three important aspects:the system parameter configuration relation,the system stability condition and the dynamics frequency simulation ability.The key conclusions obtained were that the system satisfies stability or reproduction accuracy.Meanwhile,the influence of different manipulators on the system stability is further analyzed.The accuracy of the calculated results is verified experimentally.
基金supported by the National Defense Basic Scientific Research Program(No.A0320110019)the Shanghai Science and Technology Innovation Action Plan(No.11DZ1120800)
文摘Joint clearance,as an important stochastic factor,can significantly deteriorate positioning and repeatability accuracies and lower assembly quality of a 6-DOF docking mechanism.Considering pose accuracy with traditional error model that possesses inherent imprecision,both probabilistic and deterministic approaches based on forward kinematics are presented to analyze comprehensive pose error(CPE)in simulation.Results indicate an identical trend emerges for each CPE with both approaches,and both CPEs perform opposite variations as the moving platform upgrades.The findings provide theoretical reference for refinement of assembly quality evaluation of this mechanism.
基金Supported by the National Natural Science Foundation of China(91216201,11725211)
文摘In this paper,a new kind of flexible cone composed of the thin-walled plates based on space probecone docking mechanism for small-sized spacecraft is presented.The theoretical model of docking impact dynamics,which takes into account the additional stiffness terms,is derived based on Lagrange Analytical Mechanics theory and Hertz contact theory.Finite element method is employed for the discretization of the thin-walled plate.The results show that the traditional dynamic model without considering the additional stiffness terms will be difficult to reach steady state.The method proposed in this paper can correctly predict the dynamic behavior of the system.
基金supported by the Funding of Jiangsu Innovation Program for Graduate Education(No.CXLX13_133)the Fundamental Research Funds for the Central Universities
文摘Refueling docking at different velocities is simulated by using computational fluid dynamics(CFD)method.The Osher scheme and S-A turbulence model are used to solve the compressible Navier-Stokes equations,and the Delaunay mapping dynamic grid method is also employed.All the numerical results show that the velocity of refueling docking is very important for aerial refueling.When the velocity is lower than 3m/s,the refueling drogue will move upward with obvious cycle staggering,while moving upward with slight cycle staggering at the speed of3m/s.The results can be referenced by aerial refueling design.
基金Project supported by the National Natural Science Foundation of China(Grant No.31670724)the Startup Grant of Huazhong University of Science and Technology。
文摘The prediction of protein–protein complex structures is crucial for fundamental understanding of celluar processes and drug design. Despite significant progresses in the field, the accuracy of ab initio docking without using any experimental restraints remains relatively low. With the rapid advancement of structural biology, more and more information about binding can be derived from experimental data such as NMR experiments or chemical cross-linking. In addition, information about the residue contacts between proteins may also be derived from their sequences by using evolutionary analysis or deep learning. Here, we propose an efficient approach to incorporate interface residue restraints into protein–protein docking, which is named as HDOCKsite. Extensive evaluations on the protein–protein docking benchmark 4.0 showed that HDOCKsite significantly improved the docking performance and obtained a much higher success rate in binding mode predictions than original ab initio docking.
文摘Research on theory and technology of NC docking mechanism between the spacevehicle and the space sta tion undertaken by Prof Zhu Jianying of NUAA,has recently passed appraisal organizd by the Iang-su Provincial Office of Science,T ech nology and Industry for Na tional Defense.
基金Supported by the Programme of Introducing Talents of Discipline to Universities(Grant No.B07019)
文摘In order to assess the possible collision effect, a numerical simulation for the upper module and spar platlbrm docking at the speed of 0.2 m/s was conducted by using the software ANSYS/LS-DYNA, and the time history of the collision force, energy absorption and structural defonamtion during the collision was described. The purpose was to ensure that the platlbrm was safely put into operation. Furthermore, this paper analyzes different initial velocities and angles on the Von Mises stress and collision resultant force during the docking collision. The results of this paper showed that the docking could be conducted with higher security. The data in this paper can provide useful references for the determination of the upper module＇s offshore hoisting scheme and practical construction by contrasting the numerical simulation results of the parameters on the docking collision.
基金supported by the National Key Research and Development Program of China:Investigate the mechanism of formation and control technologies of Chinese traditional and ethnic food quality(2021YFD2100100)。
文摘Oyster(Crassostrea gigas),the main ingredient of oyster sauce,has a strong umami taste.In this study,three potential umami peptides,FLNQDEEAR(FR-9),FNKEE(FE-5),and EEFLK(EK-5),were identified and screened from the alcoholic extracts of the oyster using nano-HPLC-MS/MS analysis,i Umami-Scoring Card Method(i Umami-SCM)database and molecular docking(MD).Sensory evaluation and electronic tongue analysis were further used to confirm their tastes.The threshold of the three peptides ranged from 0.38 to 0.55 mg/m L.MD with umami receptors T1R1/T1R3 indicated that the electrostatic interaction and hydrogen bond interaction were the main forces involved.Besides,the Phe592 and Gln853 of T1R3 were the primary docking site for MD and played an important role in umami intensity.Peptides with two Glu residues at the terminus had stronger umami,especially at the C-terminus.These results contribute to the understanding of umami peptides in oysters and the interaction mechanism between umami peptides and umami receptors.
基金funded by Natural Science Foundation of Shanghai,China(No.23ZR1426100)SAAS program for Excellent Research Team(No.G202203)。
文摘The taste presentation and receptor perception mechanism of the salty peptide of Stropharia rugosoannulata were predicted and verified using peptide omics and molecular interaction techniques.The combination of aspartic acid(D)and glutamic acid(E),or peptide fragments composed of arginine(R),constitute the characteristic taste structural basis of salty peptides of S.rugosoannulata.The taste intensity of the salty peptide positively correlates with its concentration within a specific concentration range(0.25–1.0 mg/mL).The receptor more easily recognizes the first amino acid residue at the N-terminal of salty peptides and the aspartic acid residue in the peptides.GLU513,ASP707,and VAL508 are the critical amino acid residues for the receptor to recognize salty peptides.TRPV1 is specifically the receptor for recognizing salty peptides.Hydrogen bonds and electrostatic interactions are the main driving forces for the interactions between salty peptides and TRPV1 receptors.KSWDDFFTR has the most potent binding capacity with the receptor and has tremendous potential for application in sodium salt substitution.This study confirmed the taste receptor that specifically recognizes salty peptides,analyzed the receptor-peptide binding interaction,and provided a new idea for understanding the taste receptor perception of salty peptides.
基金supported by the National Key R&D Program of China(2021YFD2100104)Science and Technology Programs of Zhejiang(2019C02085)the Modern Agricultural Technical Foundation of China(CARS-42-25).
文摘In this study,10 novel anti-inflammatory peptides were identified from duck liver,and their molecular mechanism was demonstrated based on machine learning and molecular docking.Using Sephadex G-15 gel chromatography separation,reversed-phase high-performance liquid chromatography purification,liquid chromatography-tandem mass spectrometry identification,and BIOPEP database comparison,10 novel antiinflammatory peptides were initially found.Their splendid angiotensin-converting enzyme(ACE)inhibition and anti-inflammatory properties were confirmed by machine learning.With binding energies less than–20.93 kJ/mol,molecular docking revealed that they could efficiently bind to the active pockets of tumor necrosis factorα(TNF-α),interleukin 6(IL-6),cyclooxygenase 2(COX-2),and nuclear factorκB(NF-κB)proteins with efficiency,indicating that the compounds can spontaneously form complexes through hydrogen bonding and hydrophobic interactions with the protein binding pockets.In the lipopolysaccharide-induced RAW264.7 cell model,the release of NO,TNF-α,and IL-6 and the mRNA expression of inflammatory factors(TNF-α,IL-6,COX-2,and NF-κB)were significantly inhibited by these peptides.We concluded it might be due to their anti-inflammatory effects by inhibiting the protein phosphorylation of inhibitor of NF-κB(IκBα)in the cytoplasm and preventing the translocation of NF-κB p65 in the cytoplasm to the nucleus,thereby regulating the NF-κB signaling pathway.This study is essential for the screening of anti-inflammatory peptides and the investigation of the mechanism of action.
基金supported by the Major Project of Science and Technology Department of Yunnan Province (202002AA100005 and 202102AE090027-2)the Project of Yunnan Province Food and Drug Homologous Resources Functional Food Innovation Team (A3032023057)+2 种基金the YEFICRC project of Yunnan provincial key programs (2019ZG009)Yunnan Province Ten Thousand Plan Industrial Technology Talents project (YNWR-CYJS-2020-010)the Yunnan Provincial Department of Science and Technology Agricultural Joint Special Project (202101BD070001-120)。
文摘Walnut dreg protein hydrolysates(WDPHs)exhibit a variety of biological activities,however,the cyclooxygenase-2(COX-2)inhibitory peptide of WDPHs remain unclear.The aim of this study was to rapidly screen for such peptides in WDPHs through a combination of in silico and in vitro analysis.In total,1262 peptide sequences were observed by nano liquid chromatography/tandem mass spectrometry(nano LC-MS/MS)and 4 novel COX-2 inhibitory peptides(AGFP,FPGA,LFPD,and VGFP)were identified.Enzyme kinetic data indicated that AGFP,FPGA,and LFPD displayed mixed-type COX-2 inhibition,whereas VGFP was a non-competitive inhibitor.This is mainly because the peptides form hydrogen bonds and hydrophobic interactions with residues in the COX-2 active site.These results demonstrate that computer analysis combined with in vitro evaluation allows for rapid screening of COX-2 inhibitory peptides in walnut protein dregs.
