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26 results about "Pyranose" patented technology

Pyranose is a collective term for saccharides that have a chemical structure that includes a six-membered ring consisting of five carbon atoms and one oxygen atom. There may be other carbons external to the ring. The name derives from its similarity to the oxygen heterocycle pyran, but the pyranose ring does not have double bonds. A pyranose in which the anomeric OH at C(l) has been converted into an OR group is called a pyranoside.

Crystalline forms of glucopyranosyl derivatives and their uses

The present invention relates to a crystalline form of a glucopyranosyl derivative and its use. In particular, the present invention relates to a crystalline form of N-(2-dimethylaminoethyl)-1-[4-[4-[[5-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trihydroxy-tetrahydropyran-2-yl]-2-methyl-phenyl]methyl]phenyl]butyrylamino]cyclohexylformamide and a pharmaceutical composition comprising the crystalline form, and further to the use of the crystalline form and the pharmaceutical composition in the preparation of a sodium-dependent glucose transporter (SGLT) inhibitor.
Owner:SUNSHINE LAKE PHARMA CO LTD

A homogeneous polysaccharide, its preparation method and its use for the prevention and treatment of chronic liver diseases

Disclosed is a homogeneous polysaccharide, monosaccharide components of the homogeneous polysaccharide including mannose and glucose; wherein the main chain structure of the homogeneous polysaccharide is an alpha-(1→4)-linked glucose pyranose main chain; wherein the average molecular weight of the homogeneous polysaccharide is 11.1 ± 5.0 kDa. The homogeneous polysaccharide of the present application can be used for preventing and treating chronic liver disease.
Owner:SHUGUANG HOSPITAL AFFILIATED WITH SHANGHAI UNIV OF T C M

Partially acylated non-natural sugar for metabolic labeling and application of partially acylated non-natural sugar

PendingCN122011057AEsterified saccharide compoundsSugar derivativesPyranoseMetabolic labeling
The invention discloses a partial acylated non-natural sugar for metabolic labeling and application, the partial acylated non-natural sugar is a mannose type of a pyranose structure, and 1-hydroxyl and 6-hydroxyl are protected by hydrophobic groups. According to the method, the advantages of existing non-natural sugar are taken into consideration, it is guaranteed that the non-natural sugar can be efficiently utilized by cells, S side reaction of the non-natural sugar and cysteine in protein in the metabolism process is effectively avoided, and meanwhile efficient metabolism marking is achieved. In a cell test, the use concentration of the 1, 6-diacylated non-natural sugar is one order of magnitude lower than that of the non-natural sugar without the protecting group.
Owner:LINXCELL BIOTECHNOLOGIES

Sulfated arabino-oligosaccharides, methods for their preparation and uses thereof

PendingCN122277628APyranoseBackbone chain
This invention discloses a sulfated arabinoglycoside, its preparation method, and its applications, belonging to the field of biomedical technology. The technical solution includes a sulfated arabinoglycoside derived from *Streptococcus linearis* polysaccharide; a degree of polymerization of 2-5; arabinose as the main monosaccharide, and containing galactose; the molar percentage of arabinose is not less than 80%, and the molar percentage of galactose is not more than 20%; the main chain is composed of (1→4)-β-L-pyranose arabinose groups, with the sulfate groups of the arabinose mainly substituted at the C-3 position. This invention is applied to inhibiting the abnormal aggregation of human pancreatic islet amyloid peptide (hIAPP), solving the problem of the lack of safe and effective intervention methods for the abnormal aggregation of human pancreatic islet amyloid peptide in existing technologies. It features stable raw material sources, high safety, a simple and mild preparation method suitable for large-scale preparation, and the ability to inhibit the abnormal aggregation of human pancreatic islet amyloid peptide and reduce pancreatic β-cell damage.
Owner:SHANDONG ACAD OF MARINE SCI (QINGDAO NAT MARINE SCI RES CENT)

A method for processing roasted sweet potatoes

PendingCN122296437Ahigh sweetnesslong storage periodBiotechnologyPyranose
This invention discloses a processing method for roasted sweet potatoes, belonging to the field of sweet potato processing technology. The method involves first placing the sweet potato at a suitable temperature for amylase activity, promoting the saccharification process and increasing its sweetness; simultaneously, allowing it to stand at a low temperature for an extended period allows the fructose inside to convert from furanose to pyranose, significantly increasing the sweetness; after roasting the sweet potato at high temperature, the surface is made sticky by lowering the temperature and increasing humidity, achieving a "sugar return" effect; finally, high-temperature treatment removes excess moisture, further enhancing the sweetness; and finally, vacuum packaging with nitrogen gas and low-temperature storage yields roasted sweet potatoes, effectively extending the shelf life of cooked sweet potatoes.
Owner:JINAN ZHENPINYUAN AGRICULTURAL TECHNOLOGY CO LTD

Process for producing aqueous polymer dispersions

PendingCN122295381APyranoseMonomer composition
This invention relates to a method for producing an aqueous polymer dispersion by free radical-initiated aqueous emulsion polymerization of a monomer composition comprising 50% to 99.9% by weight of at least one (meth)acrylic acid C1 to C2. 10 Alkyl esters and / or vinyl aromatic compounds (Class I), or at least one vinyl aromatic compound and conjugated aliphatic diene by weight of 50% to 99.9% (Class II), or vinyl acetate, vinyl propionate, vinyl tert-carbonate, long-chain fatty acid vinyl esters and / or ethylene by weight of 50% to 99.9% (Class III), these amounts being based on total monomers in each case, the method being carried out by polymerizing the composition in the presence of an oligosaccharide having 1.5 to 10 β-1,4-glycosidic bonds linking pyranose units; relating to the dispersion obtained accordingly; and relating to the use of the dispersion as a binder, adhesive, sizing agent for fibers, for the production of coatings or for the production of paper coating formulations.
Owner:BASF SE

Kit and method for joint detection of glucose, cellobiose and xylose in cellulose hydrolysate

PendingCN122084552ARealize simultaneous quantificationincrease the amount of informationMaterial analysis by observing effect on chemical indicatorColor/spectral properties measurementsCellulosePyranose
This invention discloses a reagent kit and method for the joint detection of glucose, cellobiose, and xylose in cellulose hydrolysate, belonging to the field of biomass conversion and analytical detection technology. The method includes the following steps: setting up three types of detection channels: a glucose oxidase detection channel that specifically responds to the glucose component; a β-glucosidase-glucose oxidase combined detection channel that responds to the total signal of glucose and cellobiose; and a pyranose oxidase detection channel that simultaneously responds to the combined signals of glucose, cellobiose, and xylose. Enzymatic colorimetric reactions are performed on the cellulose hydrolysate sample and the multi-component gradient standard solution in the three types of detection channels, respectively. A ternary linear calibration model is constructed based on the absorbance data of the three types of channels of the multi-component gradient standard solution. This method provides a rapid, low-cost, and highly specific detection method for glucose, cellobiose, and xylose in cellulose biomass hydrolysate, and has practical application value.
Owner:JINING UNIV

Synthesis method for a C-glycoside

ActiveFR3151038B1Sugar derivativesSaccharide compounds with non-saccharide radicalsPyranoseDiketone
The present invention relates to a process for the synthesis of at least one C-glycoside comprising the following successive steps: (A) the introduction into a first mechanochemical reactor, separately or previously mixed, of at least one sugar in the form of pyranose and / or furanose and of the D and / or L series, said sugar having at least one hydroxyl function at the obligatorily free anomeric position, of a first reagent which is a β-diketone and of a base, in order to form a first initial mixture; (B1) at least a first grinding of said first initial mixture at a temperature greater than or equal to 20°C, in said first mechanochemical reactor, for a residence time less than or equal to 6 hours, so as to form a ketone C-glycoside; (C) the recovery at the outlet of the first mechanochemical reactor of a final mixture.The present invention also relates to the use of the mechanochemical reactor for synthesizing a C-glycoside or a C-glycoside derivative comprising said at least C-glycoside. Figure for the abstract: no figure.
Owner:DEASYL +1

Application of Jerusalem artichoke polysaccharide in the preparation of drugs for regulating intestinal flora

This invention discloses the application of Jerusalem artichoke polysaccharide in the preparation of drugs for regulating intestinal flora, belonging to the field of intestinal flora drugs. The drugs for regulating intestinal flora use Jerusalem artichoke polysaccharide as the active ingredient. These drugs improve intestinal disorders by increasing the proliferation of beneficial intestinal bacteria and the content of short-chain fatty acids, metabolites of intestinal flora. The Jerusalem artichoke polysaccharide prepared by this invention contains uronic acid and pyranose, and is mainly composed of fructose and glucose, with an average molecular weight of 2228 Da. The preparation method of Jerusalem artichoke polysaccharide in this invention has high yield, low cost, and is suitable for industrial production.
Owner:YANCHENG INST OF TECH

Multi-element biomass ionic liquid as well as preparation method and composition thereof

The invention relates to the technical field of ionic liquid and biological medicine, in particular to multi-element biomass ionic liquid as well as a preparation method and a composition thereof. The name of the multi-element biomass ionic liquid is [N] XY, [N] represents a cation, X represents an anion cluster, and Y represents a hydrogen bond donor; the cation is derived from a compound containing a quaternary ammonium structure, the anion cluster is derived from amino acid and a derivative thereof, and the hydrogen bond donor is derived from pyranose and a derivative thereof or furanose and a derivative thereof. The compound can be used as a solvent and a stabilizer of indissolvable and unstable API (American Petroleum Institute), can completely replace a traditional volatile organic solvent, dissolves various indissolvable APIs, and reduces environmental and health damage caused by the traditional organic solvent.
Owner:YIMEILAI (GUANGZHOU) MEDICAL TECH CO LTD

Anti-tumor effective component of Hedyotis diffusa, preparation method therefor and use thereof

The present invention relates to the field of medicines, in particular to an anti-tumor effective component of Hedyotis diffusa, a preparation method therefor and the use thereof. Provided in the present invention is the use of one or a combination of kaempferol-3-O-[2-O-(6-O-E-feruloyl)-β-D-glucopyranose]-β-D-pyranose and E-6-O-p-coumaroylpaederoside methyl ester in tumor resistance or the preparation of an anti-tumor drug. The research of the present invention has shown that both a kaempferol-3-O-[2-O-(6-O-E-feruloyl)-β-D-glucopyranose]-β-D-pyranose compound monomer and an E-6-O-p-coumaroylpaederoside methyl ester compound monomer have very strong anti-tumor activity. In the in-vivo anti-tumor activity research, the inhibition rates thereof can reach 48.97% and 45.96%, respectively; and when both are combined to inhibit tumor cells, the research reveals that the two monomers have an obvious effect of synergistically inhibiting tumors.
Owner:GUANGDONG NEW EAR LIFE TECH CO LTD

Palladium-silver dual-mechanism switching carbohydrate hydroxyl region selective sulfonylation method

The invention belongs to the field of organic synthesis and carbohydrate chemistry, and particularly discloses a carbohydrate hydroxyl region selective sulfonylation method. According to the method, a reaction mechanism is switched by selectively adding or omitting a palladium catalyst: when the palladium catalyst, a ligand and silver salt coexist, the system selectively sulfonylates equatorial hydroxyl; when a palladium catalyst is not added and only the ligand and the silver salt are retained, the system is selectively sulfonylated into axial or paraaxial hydroxyl. The method is easy and convenient to operate, accurate regulation and control of regioselectivity can be achieved without replacing ligands or additives, and the method has high selectivity and excellent substrate universality and is suitable for various pyranoside substrates and sulfonylation reagents. The obtained sulfonylation product is a key intermediate for synthesizing carbohydrate drugs, natural products and biological probes, and has a wide application prospect.
Owner:SUN YAT SEN UNIV

Heterologous expression of 2-deoxyribose-5-phosphate aldolase and application of 2-deoxyribose-5-phosphate aldolase in catalytic synthesis of statin drug intermediates

The invention belongs to the crossing field of bioengineering and pharmaceutical technology, and particularly relates to a heterologous expression technology of 2-deoxyribose-5-phosphate aldolase derived from rhodococcus ruber SD3 and optimization of aldol condensation reaction conditions of substrates acetaldehyde and chloroacetaldehyde catalyzed by the aldolase. The enzyme can catalyze a substrate to specifically synthesize a statin drug key intermediate (3R, 5S)-6-chloro-2, 4, 6-trideoxy pyranoside, the conversion rate can reach 44.45%, and a new biological catalysis approach and technical support are provided for efficient and green production of statin drugs. The rhodococcus ruber SD3 is preserved in the China Center for Type Culture Collection, and the preservation number of the rhodococcus ruber SD3 is CCTCC NO: M 2012035.
Owner:JIANGXI NORMAL UNIV

Cellulose ester film and polaroid prepared from cellulose ester film

The cellulose ester film contains one or more than one additive (A) and one or more than one additive (B), the additive (A) is a sugar ester compound containing at least one of 1-12 pyranose structures or furanose structures, and the additive (B) is a trimethylolpropane triphenyl ester compound containing condensation of tribenzoic acid and trimethylolpropane. According to the cellulose ester film disclosed by the invention, the mechanical strength and the dimensional stability of the film are improved by optimizing a formula and a two-way stretching design, and good structural integrity can still be kept in a high-temperature and high-humidity environment; the cellulose ester film disclosed by the invention has low moisture permeability, can effectively block moisture permeation, and can prevent a polarizer from being degraded in a high-temperature and high-humidity environment when being attached to the polarizer; the cellulose ester film provided by the invention has excellent dimensional stability, can maintain good dimensional stability under the conditions of large size and thinness, and effectively solves the problem that the cellulose ester film is easy to deform in a high-temperature and high-humidity environment.
Owner:LUCKY OPTOELECTRONIC MATERIALS CO LTD

Method for manufacturing optical film, optical film, polarizing plate, and liquid crystal display device

ActiveCN117047953BSmall delay valuereduce tensile stressPyranoseLiquid-crystal display
This invention relates to a method for manufacturing an optical film, an optical film, a polarizer, and a liquid crystal display device. The objective is to provide a method for manufacturing a wide-width optical film with low retardation values ​​in both the in-plane and thickness directions, and to suppress display unevenness caused by environmental variations in the display device, using a plant-derived resin. The method for manufacturing the optical film of this invention is characterized by comprising: a step of forming a strip film from a cellulose ester resin containing a total acetyl substitution degree of 2.30 to 2.60 and a sugar ester having a furanose or pyranose structure; and a step of stretching said strip film, wherein the retardation value R... o The range is 0–10 nm, R t The process of stretching the long strip film, with a wavelength of -10 to 10 nm, includes the following steps: a first step to obtain a first stretched film; and a second step to further stretch the first stretched film to obtain a second stretched film, wherein the stretching temperature of the second step is in the range of 190 to 220°C.
Owner:KONICA MINOLTA INC

Therapeutic agent for progressive disease caused by increase in Eomes-positive CD4-positive T cells

ActiveUS12673066B2DiseasePyranose
The present invention provides a therapeutic agent for progressive disease caused by an increase in Eomes-positive CD4-positive T cells, comprising a compound represented by formula (I) or a salt thereof as an active ingredient. In the formula, R1 is an aldopyranose residue, R2 is a hydrogen atom or a hydroxy group, R3 is —CH2—, —CH(OH)—CH2—, or —CH═CH—, R4 is a hydrogen atom or CH3, x is 0 to 35, and y and z each are an integer satisfying y+z=0 to 3.
Owner:NAT CENT OF NEUROLOGY & PSYCHIATRY

N-acetylglucosamine transferase mutant and application thereof in production of L-tryptophan

PendingCN121699895ABacteriaTransferasesEscherichia coliPyranose
The invention discloses an N-acetylglucosamine transferase mutant and application thereof in production of L-tryptophan, and belongs to the technical field of genetic engineering. In order to solve the problems of yield limitation and the like caused by excessive consumption of phosphoenolpyruvic acid in the production of L-tryptophan, the invention weakens a phosphoprotein coding gene crr on escherichia coli; meanwhile, a uridine diphosphate galactose pyranose mutase gene glf and a glucokinase gene glk of the pseudomonas mobilis and an endogenous galactose H (+) transporter enzyme gene galP of escherichia coli are integrated at a pflB site, and a genetically engineered bacterium is obtained; mutagenesis is carried out on the basis to obtain a mutant strain with improved L-tryptophan yield; and the N-acetylglucosamine transferase mutants nagC and nagE are obtained by virtue of sequencing. Fermentation proves that overexpression of the mutant nagC or nagE or simultaneous overexpression of the mutants nagC and nagE in the genetically engineered bacteria can improve the yield of L-tryptophan.
Owner:HARBIN XIANGBAI BIO-TECH CO LTD

High-purity isopropyl-beta-D-thiogalactose pyranoside and crystallization production method thereof

The invention belongs to the field of crystallization, and particularly relates to high-purity isopropyl-beta-D-thiogalactose pyranoside and a crystallization production method of the high-purity isopropyl-beta-D-thiogalactose pyranoside. The crystal production method comprises the following steps: (1) mixing galactose peracetylated sugar with a halogenated hydrocarbon organic solvent, and then sequentially adding a catalyst and isopropyl mercaptan for reaction to obtain a first reaction solution; (2) adding a terminator into the first reaction liquid to terminate the reaction, and taking an organic phase; (3) removing the halogenated hydrocarbon organic solvent in the organic phase, adding an alcohol solvent, adjusting the pH value of the system to be alkaline, and carrying out a reaction to obtain a second reaction solution; and (4) adding a terminating agent into the second reaction liquid to terminate the reaction, crystallizing, and drying, so as to obtain the high-purity isopropyl-beta-D-thiogalactose pyranoside. The method has no harmful residue, the HPLC purity of the product is greater than or equal to 99.5%, the yield is greater than or equal to 74%, and the process is environment-friendly and stable.
Owner:肖光汉 +5

Method for synthesizing sulfoxide through selective oxidation of thioether under synergistic catalysis of enzyme and metal

PendingCN121700010AFermentationPyranoseHeterologous
The invention discloses a method for synthesizing sulfoxide through selective oxidation of thioether under synergistic catalysis of enzyme and metal, and belongs to the technical field of pharmaceutical compound synthesis. The method comprises the following steps: firstly, artificially synthesizing a pyranose 2-oxidase encoding gene, and carrying out vector construction, heterologous expression and separation and purification to prepare a high-purity recombinase solution; and dissolving the thioether compound in a solvent in an oxygen atmosphere, adding D-glucose, FAD and a metal catalyst, adjusting the pH value of the system, and finally adding the recombinase liquid to obtain the sulfoxide product. According to the method, low-concentration hydrogen peroxide is mildly generated in situ, the problems of excessive oxidation, side reaction and the like are avoided, the product selectivity and yield are improved, and the production safety risk is reduced. The introduction of the sodium tungstate dihydrate further enhances the catalytic efficiency and selectivity, accelerates the reaction rate, widens the substrate range, and is mild in reaction condition, environment-friendly and in line with the development direction of green chemistry.
Owner:SHANDONG FIRST MEDICAL UNIV & SHANDONG ACADEMY OF MEDICAL SCI

A method for cultivating artificial chen flower, furan-type galactomannan and preparation method and application thereof

ActiveCN119032793BImprove permeabilityDirected synthesis transformation promotionOrganic active ingredientsAccessory food factorsBiotechnologyPyranose
This invention relates to the field of directed biotransformation technology of fungal intracellular polysaccharides, disclosing a method for cultivating artificial Cordyceps militaris, a furan-type galactomannan, its preparation method, and its applications. The invention involves deep solid-state fermentation of Cordyceps militaris strains in a culture medium supplemented with an aqueous extract of a traditional Chinese medicine composed of Prunella vulgaris. During the fermentation process, alternating red, blue, and white light illumination is used to perform directed biotransformation of the component, ultimately obtaining artificially cultivated Cordyceps militaris fruiting bodies. Furan-type galactomannan is then purified to obtain the main chain. This furan-type galactomannan contains three residues: α-1,2-Manp-mannopyranose, 6-O-Me-α-1,3-Manf-mannofuranose, and α-1,2-Galf-galactofuranose. The O5 position of α-Manf and the O6 position of α-Galf on the side chains are replaced by T-β-D-Manf terminal mannofuranose, exhibiting significant immunomodulatory effects and can be used as an immunomodulator or for the preparation of immunomodulators.
Owner:ZHEJIANG FORESTRY ACAD

Silicon-based composite material, method for preparing the same, and battery

PendingCN122177789ACell electrodesSecondary cellsPyranoseImide
The application provides a silicon-based composite material, a preparation method thereof and a battery, and the silicon-based composite material comprises a silicon-based matrix and an artificial SEI film coated on the surface of the silicon-based matrix, the artificial SEI film comprises a polymer material, monomers of the polymer material comprise a pyranose derivative, and the pyranose derivative comprises allyl, benzyloxy, hydroxyl, ether and phthalimide groups. The silicon-based composite material disclosed by the application can not only buffer the volume expansion of the silicon-based matrix, improve the structural stability, but also improve the rigidity of the silicon-based matrix, the interface stability and the lithium ion transmission path, so that the cycle performance, the rate performance and the fast charging performance of the battery are simultaneously improved through the synergistic effect of the multiple functional groups.
Owner:EVE ENERGY CO LTD

Pyranose oxidase mutant and application thereof in glucose detection

The invention belongs to the technical field of bioengineering and enzyme engineering, and particularly relates to a pyranose oxidase mutant and application thereof in glucose detection. The invention discloses a pyranose oxidase mutant. The mutant is obtained by mutating the 155th site of an amino acid sequence as shown in SEQ ID NO. 2; according to the mutant, glutamine at the 155th position is mutated into threonine, alanine or glycine. Compared with a wild type, the mutant disclosed by the invention has the advantages that the affinity to interferents such as 1, 5-anhydrous-D-glucitol and the like is remarkably reduced while a high catalytic rate is reserved. The mutant provided by the invention has good linear response in a glucose concentration range of 0.02-5 mM, and especially can accurately detect low-concentration glucose in the presence of interference of physiological concentration 1, 5-AG, so that the problem of false positive caused by interferents in the prior art is effectively solved. The mutant enzyme can be widely applied to the fields of enzymatic biosensors, saliva and tear noninvasive blood glucose monitoring and the like.
Owner:NANJING SHENG DE RUI ER MEDICINE TECH CO LTD

A horsetail polysaccharide, and a preparation method and application thereof

PendingCN122356328ACellulosePyranose
This invention discloses a *Equisetum hyemale* polysaccharide, its preparation method, and its applications, belonging to the field of natural polysaccharide technology. Using *Equisetum hyemale* as raw material, the polysaccharide was extracted using a hot water ultrasonic-assisted extraction method. Through single-factor and orthogonal experiments, the optimal process was determined to be a material-to-liquid ratio of 1:20 g / mL, a temperature of 70℃, an ultrasonic power of 400 W, and an extraction time of 50 min. Under these conditions, the polysaccharide yield reached 13.05%. The crude polysaccharide was deproteinized using the Sevage method and purified by DEAE-52 cellulose column and Sephadex G-100 gel column to obtain purified *Equisetum hyemale* polysaccharide (DEPS) with homogeneous components. Physicochemical characterization showed that the DEPS had a total sugar content of 55.36%, a molecular weight of 67.61 kDa, and was composed of mannose, glucuronic acid, glucose, and fucose. It lacked a triple helix structure and contained typical polysaccharide functional groups and pyranose ring structures. In vitro experiments showed that DEPS exhibited the highest scavenging rates of DPPH, ABTS, and hydroxyl radicals, reaching 87.54%, 97.52%, and 97.5%, respectively, with its antioxidant activity showing a concentration-dependent effect. This invention features a simple process and high yield, producing a high-quality Equisetum hyemale polysaccharide.
Owner:YANCHENG INST OF TECH

Nitrogen-containing bicyclic pyranoside derivatives and methods for their preparation

ActiveCN119823137BOrganic chemistryPyranoseChemical reaction
The present application relates to a kind of nitrogen-containing annelated pyranoside derivatives and its preparation method, using D-galactose derivative as raw material, by a kind of efficient and simple and easy to operate photochemical reaction pathway, successfully synthesized with pyrano pyrrolidone structure nitrogen-containing annelated pyranoside derivatives.This method not only widens the selection range of raw material, also greatly simplifies synthesis step, improves synthesis efficiency, provides a kind of new efficient process for the synthesis of pyrano pyrrolidone structure.For the scientific research and technical application of relevant field provide new ideas and means, with significant technical innovation and practical value.
Owner:HUAIBEI NORMAL UNIVERSITY

Application of glycosides in prevention and treatment of plant pathogenic viruses

ActiveCN119479896BBiocideMolecular designCoat ProteinsCapsid
The application discloses application of glycoside compounds in prevention and treatment of plant pathogenic viruses and belongs to the technical field of pesticide antiviral agents.Taking a tobacco mosaic virus coat protein as an example, small molecules including sugar rings, such as Swertiamarin I (A0) and ZINC85593196 (B0), are screened through virtual screening, molecular dynamics simulation, molecular mechanics and MM / GBSA free energy calculation. Based on this, further optimization is carried out, and six compounds similar to the structure of A0, such as 4-methylumbelliferone-beta-D-xyloside (A1), gardenoside (A2), 4-methylumbelliferone-beta-D-pyranoside (A3), 4-methylumbelliferone-beta-D-pyranoglucoside (A4), catalpol (A5) and esculin (hemihydrate) (A6), are obtained, and in-vivo and in-vitro biological activity evaluation is carried out. The active ingredients screened by the above method have good inhibitory effect on plant viruses.
Owner:GUIZHOU UNIV