596 results about "Molecule docking" patented technology

The invention discloses sea cucumber gonad-derived antioxidant peptide as well as a preparation method and application thereof, and belongs to the technical field of food biology. The antioxidant peptide is obtained by carrying out enzymolysis and molecular docking screening on sea cucumber gonads, and comprises at least one of peptides with amino acid sequences as shown in SEQ.ID.NO.1-4. Wherein the docking energy of the SEQ.ID.NO.1 and the receptor SOD is-7.5 kcal / mol, the docking energy of the SEQ.ID.NO.2 and the receptor SOD is-7.5 kcal / mol, the docking energy of the SEQ.ID.NO.3 and the receptor SOD is-7.4 kcal / mol, and the docking energy of the SEQ.ID.NO.4 and the receptor SOD is-7.2 kcal / mol. Tests prove that the antioxidant peptide has high antioxidant activity and has wide application space in the field of functional food.

The invention provides an enzyme modification method based on artificial intelligence. The enzyme modification method comprises the following steps: training an AlphaFold2 model to obtain a glycosyltransferase tertiary structure prediction model; performing multi-sequence comparison on the protein and nucleic acid sequence database and the non-redundant protein feature sequence database based on the active point location recognition model to obtain a comparison result; initializing a matrix of which the length is equal to that of a comparison result, so as to construct a PSSM matrix and screen out potential mutation sites; according to the screened potential mutation sites, constructing an initial mutation library to form a virtual screening mutation library; performing structure reconstruction on the sequence in the virtual screening mutation library based on a glycosyl transferase tertiary structure prediction model so as to predict the glycosyl transferase tertiary structure and perform molecular docking and dynamic simulation on the glycosyl transferase tertiary structure; the method is used for analyzing binding pockets of proteins and ligands and determining dynamic interaction of amino acid residues and ligands in the binding pockets, and the contact number of each amino acid residue and the ligands is used for modifying the tertiary structure of the glycosyltransferase.

The invention discloses sturgeon ovary active peptide with ovary aging resistance and a preparation method of the sturgeon ovary active peptide. According to the invention, sturgeon ovary is taken as a raw material, and peptide with the highest ovarian aging resistance activity is selected from different enzymolysis combinations through an in-vitro anti-oxidation test and an ovarian granular cell and caenorhabditis elegans test; three sturgeon ovary active peptide sequences with ovary senescence resistance activity are screened by virtue of bioinformatics technologies such as mass spectrum identification, molecular docking and the like, and the amino acid sequences of the sturgeon ovary active peptide sequences are Phe-Met-Ile (FMI), Phe-Asp-Pro-Phe (FDPF) and Ser-Trp-Pro-Trp-Gln (SWPWQ). The sturgeon ovarian peptide prepared by the method not only has remarkable anti-premature ovarian failure activity and successfully solves the problem of high-valued utilization of sturgeon byproducts, but also can be used as a natural and efficient functional factor, is widely applied to functional products in the related fields of health care products, cosmetics, medicines and the like, and has a wide application prospect. And the method shows extremely wide market application prospects and huge economic values.

The invention belongs to the field of drug design, and particularly discloses a virtual screening method of a small-molecule inhibitor targeting YTHDF1 protein, which comprises the following steps: acquiring a YTHDF1 protein structure, and carrying out homologous modeling to generate various conformation proteins; small molecules combined with the YTHDF1 protein are obtained, bait molecules are generated, and ligand molecules are formed; a ligand molecule is in butt joint with a binding site on the YTHDF1, and the compound is characterized through PLEC fingerprints; the method comprises the following steps: constructing a specificity scoring function by using a machine learning algorithm, carrying out scoring screening on a compound to be screened and a compound butted with YTHDF1 molecules, carrying out affinity prediction, and screening out the small-molecule inhibitor targeting YTHDF1. According to the virtual screening method provided by the invention, the YTHDF1 targeting molecules with high affinity can be accurately screened on a large scale, candidate molecules are provided for research and development of medicines for treating YTHDF1 related diseases, and a foundation is laid for clinical tests and medicine optimization.

The invention discloses preparation and application of lotus seed protein peptide with ACE (angiotensin converting enzyme) inhibitory activity, and belongs to the technical field of food-borne active peptide development. According to the ACE inhibitory peptide WVPRYFPF and the preparation method thereof, the ACE inhibitory peptide is rapidly screened by utilizing a polypeptiomics and molecular docking technology, the defects of time consumption and labor consumption caused by step-by-step separation and purification are avoided, the obtained ACE inhibitory peptide WVPRYFPF has extremely high ACE inhibitory activity, IC50 of the ACE inhibitory peptide WVPRYFPF is 16.7 mu M, and the ACE inhibitory peptide WVPRYFPF can be used for assisting or replacing hypertension drugs. The lotus seed protein peptide disclosed by the invention has the characteristic of inhibiting ACE enzyme activity in vitro, and animal experiments prove that the protein peptide can also play a role in lowering blood pressure in a spontaneous hypertension rat (SHR).

The invention provides a molecular modification method for glycosyltransferase based on artificial intelligence. The method comprises the following steps: acquiring description information of enzyme mutants to form a basic data set; performing physicochemical property analysis on the basic data set to obtain an analysis result set; calculating the quantized value of the conservative degree of the mutation site and the quantized value of the influence degree of different mutations on the sequence so as to construct a position specificity scoring matrix; extracting a position specificity scoring value and a frequency from the scoring matrix, determining a functional section, and performing weighting processing; performing three-dimensional structure prediction and energy calculation based on the three-dimensional structure reconstruction model of the mutant to obtain an energy value; calculating an energy change value between the mutant and the wild type; performing molecular docking and dynamic simulation analysis on the mutant protein to obtain quantitative description of an interaction mode and strength and dynamic simulation characteristic data; and constructing a model training set to train a machine learning model for predicting the change of the enzyme activity of the mutant.

The invention relates to the field of molecular targeted therapy, and discloses an application of an SLC16A5 (MCT6) small-molecule inhibitor MCT6-Ai7-2 in preparation of a medicine for treating acute myeloid leukemia (AML). The inhibitor takes an SLC16A5 protein structure predicted by Alphafold as a target spot, and is obtained through compound database screening, molecular docking and druggability optimization. An in-vitro experiment proves that MCT6-Ai7-2 can remarkably inhibit proliferation of AML cell lines such as U937 and MOLM-13, induce cell apoptosis and retard a cell cycle, has an inhibiting effect on a primary AML patient specimen and is relatively low in toxicity to normal cells; in-vivo experiments show that the compound is effective and has good safety in AML model mice. In addition, the MCT6-Ai7-2 and the vinca can be combined to synergistically enhance the inhibition effect on vinca drug-resistant cells, and by reducing the expression of anti-apoptotic protein MCL-1, the activation of pro-apoptotic factors BIM and tBID is promoted to play a role. The invention provides a novel targeting drug and strategy for treatment of AML (especially drug-resistant or recurrent patients).

The invention discloses a sesame umami peptide with antioxidant activity and application thereof, the amino acid sequence of the sesame umami peptide is at least one of GFE (Gly-Phe-Glu), YMD (Tyr-Met-Asp) and RFT (Arg-Phe-Thr), and the sesame umami peptide belongs to the technical field of bioactive peptides. Three novel umami peptides are found and identified from sesame protein in combination with virtual enzymolysis, directional screening and molecular docking, sensory evaluation and electronic tongue analysis prove that the umami peptides GFE, YMD and RFT have good umami characteristics and have a good umami increasing effect on sodium glutamate, the umami threshold value is 0.07-0.36 mmol / L, and meanwhile, the three umami peptides all have antioxidant activity. The novel umami peptide is excavated from the sesame, the utilization value of sesame byproducts can be improved, the extracted umami peptide can also be used as a flavor enhancer or applied to preparation of the flavor enhancer, a new raw material basis is provided for development of the flavor enhancer, seasonings and functional food, and good application prospects and important application value are achieved.

The invention belongs to the technical field of biology, and particularly relates to milk-derived pentapeptide for promoting calcium mineral absorption and application of the milk-derived pentapeptide. The CPP containing the high-activity peptide fragment is obtained by optimizing a process, and the influence of the CPP on mineral absorption is verified by utilizing a zebra fish model. Then, the pentapeptide GPFPI with calcium absorption promoting activity is screened out from the CPP in combination with peptidomics and a molecular docking technology, functional verification is carried out, it is found that the pentapeptide presents a dose-dependent trend on Ca < 2 + > transport, the Ca < 2 + > transport amount is remarkably increased by 23.23% at 10 mu M, and meanwhile, zebra fish experiments show that intervention of the GPFPI effectively reverses accumulated optical density value reduction caused by dexamethasone, and the effect of inhibiting calcium absorption is achieved. Compared with a manufacturing module, the skull accumulative optical density value of a GPFPI (2-20 mu M) processing group is remarkably increased. It is shown that the synthetic peptide GPFPI can effectively promote Ca < 2 + > transfer and absorption, improve the osteoporosis symptom of zebra fish and increase deposition of calcium in bones.

The invention discloses a tortoise shell bioactive peptide and a preparation method and application thereof.The tortoise shell bioactive peptide comprises one or more of EHTVVY, GPKKDQK, SPLSDVRGH, SENADKGALS and DPKMNGLK. The preparation method comprises the steps of preparation of tortoise shell protein hydrolysate, ultrafiltration separation, anion exchange resin separation, gel column separation, de novo sequencing analysis, molecular docking screening and solid-phase synthesis. The tortoise shell bioactive peptide can be applied to the fields of oxidation resistance and immunoregulation. The method disclosed by the invention is a separation, purification and identification technical method of the tortoise shell specific antioxidant polypeptide based on activity guidance, and has the advantages of clear components, clear activity, clear mechanism and the like; the obtained specific polypeptide has important significance for functional product development of polypeptide compounds with clear tortoise shell components.

The invention discloses a deep learning-based umami peptide prediction method and system. The method comprises the following steps of S1, constructing a data set; s2, feature selection and processing; s3, constructing a Umami-Transform model: constructing the Umami-Transform model which comprises a feature processing and generating module, a sequence information processing module, a feature information processing module and a result output module; s4, model training; and S5, umami peptide prediction: inputting a peptide sequence to be detected into the trained Umami-Transformer model to obtain a probability prediction result that the peptide sequence is the umami peptide. According to the method, the Transform architecture and eight key physical and chemical characteristics are fused, so that peptide sequence information can be efficiently processed, and the prediction precision of the umami peptide is remarkably improved. All dipeptides to pentapeptides are screened by further combining with an exhaustion method, and an interaction mechanism between candidate peptides and the umami receptor T1R1 / T1R3 is analyzed through a molecular docking technology, so that the whole-process research from theoretical prediction to biological experimental verification is finally realized, and an innovative technical path is provided for efficient excavation and functional application of the umami peptides.

The invention discloses a method for screening potential efficacy raw materials of cosmetics by establishing a mathematical model based on molecular docking and physical and chemical properties of substances, and the method comprises the following steps: S1, aiming at semi-flexible molecular docking of a specific efficacy target, including pretreatment and simulated docking of a compound ligand and a target receptor; s2, querying and selecting cosmetic application related indexes in a database, wherein the specific indexes are molecular weight, the number of hydrogen bond receptors and donors, fat-water distribution coefficient, topological polar surface area and skin permeability; and S3, alternative compound screening, including data preprocessing, definition of optimal / inferior values and median values, primary screening of principal component analysis, weight coefficient determination by an entropy weight method and Topsis comprehensive evaluation. According to the method, reasonable non-experimental type indexes are found, so that the screening efficiency is effectively improved, the cost is effectively reduced, the scientific large-batch raw material screening requirement can be met, and besides the screening purpose, the potential size of alternative compounds can be predicted and quantified.

The invention discloses a tyrosinase inhibitory peptide from kelp as well as a preparation method and application of the tyrosinase inhibitory peptide. The preparation method comprises the following steps: pretreating kelp, fermenting the kelp by using lactobacillus plantarum, carrying out centrifugation, ultrafiltration and component identification on the obtained fermentation liquor to obtain the composition of kelp polypeptide, screening the tyrosinase inhibitory peptide through molecular docking, and finally carrying out solid-phase synthesis to obtain the tyrosinase inhibitory peptide prepared by the invention. The lactobacillus plantarum fermentation technology is simple and feasible, the production cost is low, equipment is easy to obtain, active ingredients in kelp can be released to the maximum extent, and the prepared polypeptide has the effect of inhibiting the activity of tyrosinase and can be used for developing a tyrosinase inhibitor.

The invention belongs to the technical field of plant active peptides, and particularly relates to a red kidney bean hypoglycemic active peptide and application thereof. The amino acid sequences of the hypoglycemic active peptide are FFGGPAF, SAKPFFSGL and PPGHPFVTF. The invention further discloses a preparation method of the hypoglycemic active peptide. FF, SL and PF for short. The polypeptide is prepared through enzymolysis of red kidney bean protein, and the polypeptide is identified by utilizing ultrafiltration separation and LC-MS / MS (Liquid Chromatography-Mass Spectrometry / Mass Spectrometry); the hypoglycemic active peptides which are high in hypoglycemic effect, free of toxicity, carcinogenicity and sensitization and capable of being absorbed by human intestinal tracts are screened out through a bioinformatics method and molecular docking, then the screened hypoglycemic active peptides and alpha-glucosidase are subjected to molecular docking, and finally three hypoglycemic active peptides FF, SL and PF are screened out. The invention finds that the hypoglycemic active peptides FF, SL and PF have high inhibitory activity on alpha-glucosidase, can obviously promote glucose consumption of insulin resistance model cells, and can be used for preparing hypoglycemic drugs, food and health care products.

The invention discloses a small-molecule active peptide with antioxidant and hypoglycemic effects, a composition and application, and belongs to the technical field of biological active peptides. The amino acid sequence of the small molecule active peptide with the antioxidant and blood sugar reducing effects is at least one of FSNAPRL, QFGRLY and SVPGHF. According to the invention, a plurality of micromolecular active peptides with antioxidant and hypoglycemic effects are extracted from walnut meal, the obtained peptide fragment sequence is subjected to molecular docking and chemical synthesis, and the antioxidant activity and hypoglycemic activity of a single peptide fragment and a compound peptide fragment of the synthesized peptide fragment are verified. The active peptide and the compound peptide fragment thereof have good DPPH and ABTS clearance rate and alpha-glucosidase and alpha-amylase inhibition ability, so that the active peptide and the compound peptide fragment thereof have good application prospects in preparation of products with antioxidant and hypoglycemic effects, and a foundation is laid for comprehensive utilization of walnut meal byproducts and promotion of research, development and application of functional active peptides.

According to the invention, a glycosyl transferase mutant derived from Bacillus licheniformis ZSP01 is used as a research object, AlphaFold 2 is used for constructing a three-dimensional structure of a protein, then technologies such as molecular docking and molecular dynamics simulation are used for analyzing amino acids far away from a catalytic center in glycosyl transferase, site-directed mutagenesis is carried out on the amino acids, and the glycosyl transferase is obtained. The activity of the mutant for catalytically synthesizing the icariside D2 glycosyltransferase is improved.

The invention discloses a preparation method and application of a novel glycoside component in eupatorium chinense. The compound is separated from an eupatorium chinense extract. The eupatorium chinense root extract is separated by using an extraction method, macroporous adsorption resin impurity removal, HW-40F gel column chromatography, high performance liquid chromatography and other methods to obtain a new glycoside compound. The inhibitory activity of the separated compound on diabetes related targets alpha-glucosidase and protein tyrosine phosphatase 1B (PTP1B) is tested, the experimental result shows that the compound has good inhibitory activity on two enzymes, and the molecular docking experiment also shows that the compound has good inhibitory activity on the two enzymes. The compound has good binding energy with two target protein alpha-glucosidase and protein tyrosine phosphatase 1B. Therefore, the compound can be used for preparing medicines for preventing, delaying or treating alpha-glucosidase or PTP1B-mediated diseases, especially type II diabetes and obesity, or can be used as a lead compound of the medicines.

The invention discloses a BHET hydrolase designed based on an inverse folding algorithm and a preparation method of the BHET hydrolase, and relates to the technical field of biology. The preparation method comprises the following steps: selecting polyester hydrolase PHL7, learning a protein crystal structure by using a deep learning algorithm Protein MPNN, carrying out three-dimensional structure modeling by using Esmfold, carrying out molecular docking on candidate protein and BHET, carrying out molecular dynamics simulation, and screening out protein which is well combined with a substrate; performing expression and purification; the invention further discloses the application of the BHET hydrolase in hydrolysis of BHET. Through the screening process, the BHET hydrolase can be simply, rapidly and efficiently screened from the candidate sequences generated in a large scale, and the source of the BHET hydrolase is expanded.

The invention discloses a novel benzofuran component in eupatorium chinense and application of the benzofuran component in anti-inflammatory activity. The obtained compound is separated from an eupatorium chinense extract. The eupatorium chinense root extract is separated by using an extraction method, macroporous adsorption resin impurity removal, Sephadex LH-20 gel column chromatography, high performance liquid chromatography and other methods. According to the present invention, all the separated compounds and the analogues thereof have good inhibition activity on target cyclooxygenase-2 of inflammation-related diseases, and have good inhibition activity on COX-2 enzyme, and the molecular docking experiment results show that the compounds and the target proteins have good binding energy. Therefore, the compound can be used for preparing drugs for treating inflammatory related diseases, or anti-inflammatory and analgesic drugs, or tumor drugs by inhibiting COX-2 enzyme, such as drugs for rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, Alzheimer's disease and the like, and related natural lead compounds are provided.

The invention discloses a peptidomics-based computer-aided rapid screening method, collagen antifreeze peptide and application thereof, and relates to the fields of food biotechnology and bioinformatics. The amino acid sequence of the collagen antifreeze peptide is as shown in any one of SEQ ID NO.1-5. The invention provides a computer-aided antifreeze peptide rapid screening method based on peptiomics, which comprises the following steps: performing peptiomics analysis on a cod collagen hydrolysate containing a large amount of polypeptide, and screening the antifreeze peptide according to physicochemical properties, amino acid composition of a primary structure and a molecular docking result of the cod collagen hydrolysate. The interaction capability of the cod collagen hydrolysate and the ice crystals is scored in multiple aspects, so that the antifreeze peptide with strong interaction capability with the ice crystals is rapidly screened. The antifreeze peptide provided by the invention can form a plurality of hydrogen bonds with ice crystals, has extremely strong action capacity with the ice crystals, can be used for preparing an antifreeze agent, and is further applied to frozen surimi products.

The invention belongs to the technical field of food biology, and particularly relates to sea cucumber gonad-derived anti-inflammatory peptide as well as a preparation method and application thereof. The anti-inflammatory peptide is obtained by performing enzymolysis and molecular docking screening on sexual glands of sea cucumbers, and comprises at least one of peptides with amino acid sequences as shown in SEQ.ID.NO.1-3. Experiments prove that the anti-inflammatory peptide has high anti-inflammatory activity, provides a basis for preparing functional food from natural food sources, and has important significance for development of novel anti-inflammatory products.

The invention relates to the technical field of bioactive peptides, and discloses a walnut peptide with a neuroprotection function and a preparation method and application thereof, and predicts that a batch of small molecular walnut peptides have the neuroprotection function through enzymolysis of natural walnut protein, molecular weight screening and molecular docking. Experiments prove that the walnut peptide disclosed by the invention has a nerve protection function: the cell activity of nerve cells is improved, and the walnut peptide plays a role in preventing neurodegenerative diseases and other nerve-related diseases; the toxic effect of oxidative damage on nerve cells is relieved, nerve cell apoptosis is inhibited, the cell viability of the nerve cells is improved, and the function of treating nerve injury related diseases is achieved; the compound can be used for improving the activity of nerve cells, relieving oxidative damage of the nerve cells, adjusting the protein level of nerve damage related pathways, preparing related drugs for reducing blood pressure or resisting senile dementia or tumors and the like, and has a wide application prospect.

The invention belongs to the technical field of biological medicine, and particularly relates to application of anethomycin in preparation of medicine for inhibiting cysteine protease activity. The invention discovers that anethomycin has the function of inhibiting the activity of virus cysteine protease, especially 3C or 3CL protease, for the first time. Molecular docking proves that anethomycin can effectively bind to the catalytic activity center of Senecavirus (SVA) 3C protease. An in-vitro FRET enzyme activity experiment proves that the inhibition rate of 50 [mu] M of anethomycin on SVA 3C protease reaches up to 88.5%. Cellular level experiments show that the anethomycin can significantly inhibit replication of SVA viruses, shows broad-spectrum antiviral activity on various viruses such as encephalomyocarditis viruses (EMCV), porcine reproductive and respiratory syndrome viruses (PRRSV) and porcine deltacoronaviruses (PDCoV), and is low in cytotoxicity and high in selectivity index (SI).

Provided are a polypeptide having the function of lowering cholesterol in a soybean protein hydrolysate, and a preparation method therefor and the use thereof. The polypeptide is derived from a peptide fragment having a binding_energy value of < -1.2 Kcal docked to a cholesterol esterase molecule, and the peptide fragment of the polypeptide subjected to molecular docking to cholesterol esterase is derived from 23 polypeptides with the biological activity score of Peptide Ranker > 0.9. Therefore, the polypeptide has a significant blood-lipid-lowering function.

The invention relates to the technical field of biological agents, in particular to abalone-derived polypeptide with antioxidant activity and a preparation method thereof. According to the invention, Haliotis discus hannai Ino is taken as a research object, a small peptide library is established by using a virtual enzymolysis technology from an important anti-oxidation pathway of cells, namely a Keap1-Nrf2 pathway, an abalone-derived anti-oxidation peptide DEDEDEDK with relatively strong binding capacity with Keap1 is screened out by using a molecular docking technology, and then, the anti-oxidation activity of the abalone-derived anti-oxidation peptide DEDEDEDK is verified by using a cell oxidative damage model, so that the abalone-derived anti-oxidation peptide DEDEDEDK can be used for preparing the anti-oxidation peptide DEDEDEDK with relatively strong binding capacity with Keap1. And a theoretical basis is provided for research and application of the antioxidant peptide.

The invention discloses a salty and fresh difunctional taste-active peptide as well as a preparation method and application thereof, and relates to the technical field of biology. The amino acid sequence of the salty and fresh difunctional taste-active peptide is as shown in any one of SEQ ID NO.1-4. According to the invention, a compound protease enzymolysis method is adopted to prepare enzymatic hydrolysate rich in salty and fresh dual-function taste-active peptides, a plurality of salty and fresh dual-function taste-active peptides are identified and screened out by utilizing polypeptiomics and a molecular docking technology, and meanwhile, a transmembrane structure domain of a taste receptor is evaluated and predicted; chemical bonds and docking sites for docking of the salty and fresh difunctional taste-active peptide and the taste receptor are analyzed, key chemical bonds and binding sites for interaction of the salty and fresh difunctional taste-active peptide and the salty receptor are summarized, and the salty taste and umami strength of the salty and fresh difunctional taste-active peptide and the salty receptor are evaluated. The salty and fresh dual-function flavor peptide screened by the invention has strong salty taste and fresh taste, can be used as a substitute of sodium salt, and is used for preparing low-salt and low-sodium food. The invention also provides a certain reference for rapidly and simply obtaining the salty and fresh dual-function taste-active peptide.

The invention discloses a drug relocation method based on multi-source biological information and a graph neural network, and the method comprises the steps: firstly integrating drug and disease information, and constructing a relation network containing homogeneous and heterogeneous information; on the basis, local and global features are extracted at the same time by using a graph convolution operation and a multi-head attention mechanism, a deep residual network is fused, model training is accelerated, a feature-oriented down-sampling strategy and a weighted cross entropy loss function are adopted, and more negative sample information is incorporated into a model training process. Experimental results show that the GADRC model is superior to six latest baseline methods. Case research and molecular docking experiments further verify the effectiveness of the method in predicting the potential incidence relation of the drug diseases, and the method has practical application value.

The application provides application of grass aconite in preparation of anti-epilepsy drugs and a mechanism analysis method, relates to the technical field of anti-epilepsy drugs, and discloses a "drug active ingredient-key target point-disease-pathway" network diagram of the grass aconite anti-epilepsy by starting from the chemical structure of the effective component of the grass aconite, applying network pharmacology and molecular docking technology, revealing how the active component of the grass aconite plays the drug efficacy through "multi-target point, multi-pathway and multi-pathway" combined regulation, predicting the anti-epilepsy target point and mechanism of the grass aconite, and providing certain theoretical reference for research and development of the grass aconite as an anti-epilepsy drug and a functional food.

The invention discloses a podophyllotoxin triazole ether derivative as well as a preparation method and application thereof, belongs to the technical field of chemical pharmacy, and particularly relates to a podophyllotoxin triazole derivative and application of the podophyllotoxin triazole ether derivative in preparation of antitumor drugs. A series of novel 1, 2, 3-triazole podophyllotoxin derivatives are designed and synthesized by combining a triazole structure with a podophyllotoxin matrix through click chemistry reaction, the dynamic characteristics of podophyllotoxin are optimized by introducing the triazole structure, and the anti-cancer effect and druggability of podophyllotoxin are improved. Molecular docking shows that the series of compounds have relatively strong binding energy to AKT1 and tubulin and can inhibit tubulin / AKT1 in a targeted manner, and in-vitro anti-tumor activity research shows that the molecules have very strong inhibitory activity to proliferation of human colon cancer cell strains, and a new strategy can be provided for structural derivatization of podophyllotoxin. # imgabs0 #

The invention discloses a uric acid reducing polypeptide, the polypeptide is derived from a peptide fragment, the'bindingerge 'value of the peptide fragment in molecular docking with xanthine oxidase is less than-1.5 kcal / mol, and the peptide fragment, in molecular docking with the xanthine oxidase, of the polypeptide is derived from a Peptide Ranker biological activity score gt; and 0.7 of a polypeptide. The uric acid reducing polypeptide is obtained by screening natto powder subjected to pepsin enzymolysis, natto powder enzymatic hydrolysate obtained through enzymolysis has the activity of inhibiting xanthine oxidase, the screened uric acid reducing polypeptide can be developed into a uric acid reducing medicine, and active ingredients are added into functional food and health food, so that the uric acid reducing polypeptide has a good application prospect. Good market prospects are realized in medicine and food industries.