58 results about "Drug structure" patented technology

The present invention discloses a drug susceptibility prediction method based on a multi-similarity network. The method comprises the steps of: employing drug structure information to construct a drugsimilarity network, employing cell line gene expression profile data to construct a cell line similarity network after gene screening, and calculating a gene similarity network according to protein structure information; on this basis, establishing an association relation among drugs, the cell line and the genes, and performing three random walk in multiple networks formed by the constructed drugsimilarity network, the cell line similarity network and the gene similarity network to predict the drug susceptibility. On the basis of simpleness and practicability, the drug susceptibility prediction method based on a multi-similarity network can improve the drug susceptibility identification accuracy and can provide important reference for researchers to perform drug design.

The invention discloses a method for preparing a multilayer polymer microneedle, belonging to the field of microneedle transdermal drug delivery. According to the invention, an insoluble hard substrate microneedle is prepared by using a micro-hot embossing process; a drug solution is dried on the surface of a needle body of a microneedle in a multi-spraying manner; thus, a multi-layer drug structure is obtained. Meanwhile, sodium hyaluronate is coated onto the outer layer of the multi-layer drug structure, so a polymer microneedle with a substrate layer, a drug layer and a rapid release layeris obtained. Compared with a conventional microneedle, the microneedle provided by the invention can be stacked in multiple layers in a certain needle length range, so the variety of loadable drugs isincreased. And the insoluble substrate microneedle is prepared by utilizing the micro-hot embossing process, so simple process operation and high micromachining precision are realized, and the periodof preparation is greatly shortened. In addition, by changing of the thickness of outer-layer sodium hyaluronate, the purpose of controlling the dissolution speed of a drug is achieved.

The invention relates to an olefinated estrogen compound (I), a preparation method thereof and application thereof to the preparation of an antineoplastic drug. The invention has the beneficial effects which are mainly embodied in that (1), an olefinated estrogen drug provided by the invention is novel in structure, has favorable antineoplastic activity, and particularly has excellent inhibitory activity to the cell line MCF-7 of a mammary cancer and a cell line PC-7 of a prostatic cancer; and (2), a preparation method of the olefinated estrogen drug, which is provided by the invention, can beused for preparing and obtaining the olefinated estrogen drug in a high-yield manner by only needing one step, and has the characteristics of being simple, efficient, convenient and quick, and the like.

The invention discloses a drug pair adverse reaction prediction method based on drug dependence. The drug pair adverse reaction prediction method comprises the following steps: S1, collecting drug pair adverse reaction relationship data, drug structure data and side effect data; s2, constructing a drug pair adverse reaction prediction basic model based on attribute supervision; s3, constructing adrug pair adverse reaction prediction model based on drug dependence; and S4, adopting the drug pair adverse reaction prediction model based on drug dependence to perform adverse reaction prediction on the drug pair with the unknown adverse reaction relationship collected in the step S1. According to the method, model training is carried out through known adverse reaction relationship data of drugpairs, structural data of drugs and side effect data, so that adverse reactions of drug pairs with unknown adverse reaction relationships in a data set can be predicted, and potential adverse reaction drug pairs can be found; and data support is provided for research on adverse reactions of drug pairs and research on safety of new drugs based on a biological experiment method.

The invention relates to the field of biomedicine, in particular to an injection preparation of an anti-CTLA-4 monoclonal antibody. The injection preparation of the anti-CTLA-4 monoclonal antibody comprises a pharmacodynamic molecule and a buffer solution, wherein the pharmacodynamic molecule is an anti-CTLA-4 monoclonal antibody with the protein content of 2-50 mg/ml; the buffer solution comprises buffer salt, a protein protectant, an isoosmotic adjusting agent and a nonionic surfactant; and the pH value of the buffer solution is 6.5-7.5. A good storage environment is provided for the anti-CTLA-4 monoclonal antibody, the stability of the antibody drug structure can be ensured, the generation rate of antibody aggregates in the preparation can be effectively reduced, and the curative effectof biological drugs is ensured; and the pharmacodynamic molecule anti-CTLA-4 monoclonal antibody has strong affinity and good biological activity, can specifically bind to CTLA-4 antigen, enhances the reactivity of T cells to various antigens, and is further used for treating various cancer diseases.

The invention discloses a triazole CYP51-HDAC double-target antifungal compound, which has a structural general formula disclosed in the invention, wherein R is selected from one of the structures disclosed in the invention. According to the triazole CYP51-HDAC double-target antifungal compound disclosed by the invention, an HDAC inhibitor fragment is introduced into a traditional triazole drug structure; a series of CYP51-HDAC double-target inhibitors are obtained, and the CYP51-HDAC double-target inhibitors are effective to azole sensitive fungi, and more importantly, have excellent in-vitroand in-vivo activity to azole drug-resistant fungi.

The present invention provides a pharmaceutical carrier and a drug structure using the carrier. The drug of the present invention comprises particular contents of chitosan, a negatively charged polymer, sodium tripolyphosphate, and an active ingredient, which combine with each other via electrostatic attraction. The drug structure has better release property and longer retention time; therefore overcomes the current drawbacks of the conventional treatment.

The invention relates to a disposable traditional Chinese medicine collapse tablet. The disposable traditional Chinese medicine collapse tablet is prepared by covering gauze 1 impregnated with medicinal wine by a PU film 2, wherein the medicinal wine is prepared from 20-30 parts of ephedra, 20-25 parts of cassia twig, 15-25 parts of radix saposhnikoviae, 15-30 parts of zaocys dhumnade, 5-15 partsof dipsacus root, 10-20 parts of safflower, 5-12 parts of natural copper, 10-20 parts of raw frankincense, 10-20 parts of raw myrrh, 15-20 parts of violet magnolia and 1000-1500 parts of white wine byweight. The disposable traditional Chinese medicine collapse tablet is rich in raw materials, simple in preparation method, scientific and reasonable in drug structure and group distribution and convenient to use, has the effects of promoting blood circulation to remove blood stasis and inducing menstruation to relieve menalgia, is low in cost, beneficial for absorption and absorption of drugs, good in curative effect, time-saving and labor-saving, is capable of lightening the operating procedures of medical personnel, is an innovation in the traditional Chinese medicine collapse, and has remarkable economic and social benefits.

The invention discloses a drug structure as shown in the general formula (1), wherein, R1-R5 is independently selected from H, OH, halogen, NO2 or OR, R represents C1-C6 alkyl. The in vitro experiments of pharmacodynamics show that the compound can protect neurons, control Alzheimer disease, and the compound has obvious inhibiting effects to parkinsonism and other neurodegenerative diseases.

The invention discloses a structural formula of an LQC-Y as well as synthesis and an application thereof. Pharmacological experiments verify that the compound has a remarkable anti-tumor effect, wherein the single day maximum dosage of an LQC-Y3 mouse is 6000mg/kg. No toxic reactions happen within 14 days of continuous observation, thus, the drug is very high in safety and can be used for preparing drugs for preventing and treating cancers such as liver cancer and lung cancer. The structural formula of LQC-Y is as shown in the specification, wherein R represents sterides such as cholic acid, deoxycholic acid, ursodesoxycholic acid, chenodeoxycholic acid and hyodeoxycholic acid; triterpenoids such as oleanolic acid, ursolic acid, pachymic acid, glycyrrhetinic acid and glycosides; parietic acid, rheum emodin and other anthraquinone mother nucleus mono-substituted or multi-substituted structures; baicalein, baicalin and other flavone analogue compounds; shikimic acid, mono-substituted shikimic acid or multi-substituted shikimic acid; geniposidic acid and other iridoid acid derivatives; and paeonol, curcumin and structural derivatives.

A chemical health hazard screening method mainly comprises the following steps: decomposing a known pharmacodynamic drug structure and transcriptomic characteristics by a non-negative matrix to establish a structure-health impact-transcriptomic association network model; conducting internal validation on the association network model from the aspects of the therapeutic effect and the structural similarity; obtaining a chemical health hazard screening criteria based on the structure matching degree of the determined drug efficacy and each health impact of the model; utilizing the chemical health hazard screening criteria for sorting and screening of chemical health hazards within a model application domain. According to the method, the pharmaconomics big data is utilized to establish an evaluation screening model that multiple health hazard rankings can be obtained by simply inputting a chemical structure, the difficulty that accurate prediction of complex toxicity and simultaneous screening of multiple health impacts cannot be achieved by simple structure similarity in the chemical health risk evaluation is overcome, and the method has wide application prospects in the chemical health risk evaluation field.

An embodiment of the invention provides a medicine dispenser and relates to the technical field of uniform medicine dispersing. The medicine dispenser comprises a medicine storage box, a medicine dispensing component and a cover. The medicine storage box comprises an accommodating cavity, a medicine discharge hole is formed in the cover, the medicine dispensing assembly can be connected with the medicine storage box, and the cover can be connected with the medicine dispensing assembly. When the medicine dispensing assembly is connected with the medicine storage box, the medicine dispensing assembly comprises a first state and a second state and can be switched between the first state and the second state. When the medicine dispensing assembly is in the first state, the medicine dispensingassembly can rotate around the center axis of the accommodating cavity to level a medicine in the accommodating cavity. When the medicine dispensing assembly is in the first state, the medicine dispensing assembly can move axially along the accommodating cavity to divide the accommodating cavity into multiple subunits. When the cover rotates relative to the medicine dispensing assembly, the medicine discharge hole can selectively communicate with one of the multiple subunits to pour out the medicine of the subunit corresponding to the medicine discharge hole. The medicine dispenser is simple in structure, reasonable and ingenious in design, convenient to operate and uniform in medicine dispersing.

The invention discloses a drug containing sustained-release ornidazole drug and used for treating infections of trichmonad, amoeba, giardia and anaerobic organism in gynecopathy as well as the preparation method thereof. The drug aims to provide a sustained-release ornidazole dropping pill formulation which has excellent curative effect, low toxic and side effects, broad-spectrum antibacterium, safer use, low frequency of drug taking and long effective hours and is prepared by adopting the solid dispersion technology, thereby thoroughly changing the defects existing in conventional oral formulations from the drug structure. The sustained-release ornidazole dropping pill adopts ornidazole as the ingredient and is prepared jointly with the medicinal carrier used as the stroma.

The invention belongs to the field of targeted drug therapy, and discloses a gemcitabine prodrug with tumor targeting properties and a preparation method and application thereof. The structural formula of the prodrug is GEM-B, wherein GEM represents gemcitabine, B represents biotin, and NH2 of GEM is coupled with COOH of B through an amide bond; the prodrug has better inhibiting effects on varioustumor cell strains, the IC50 value of the prodrug is 5-7 times lower than that of GEM, but the toxicity of the prodrug on normal hepatocytes is 3-4 times or more lower, in-vitro cell transport of theprodrug does not rely on expression of nucleic acid transport carrier proteins, and thus drug resistance of GEM can be reduced. Compared with the drug prototype, the prodrug can maintain higher in-vivo gemcitabine concentration, larger AUC and longer half-life after being injected. The prodrug has the advantage of tumor targeting mediated by biotin receptors, and the defects can be overcome thatgemcitabine is low in targeting and easy to deaminize and passivate and easily causes drug resistance; and effects of eliminating tumor cells by targeting metabolic pathways antagonistic to the tumorcells are achieved.

The present invention describes a method for programming a specific course and rate of metabolism for a parent drug compound that leads to an inactive or very weakly active and nontoxic metabolite when the modified drug compound is administered. The parent drug compound is modified by forming one or more of a predetermined chemical arrangement within the parent drug structure where the chemical arrangement is A--Ø--(R)-X-R'; where A is absent or is a tether moiety which allows for a metabolically stable chemical connection to be made to the parent drug compound; Ø is a substituted aryl or heteroaryl system that is already present within the parent drug compound or is specifically added to the parent drug compound via A; R is an alkyl or alkene containing chain either branched or unbranched from 0 to 10 carbons that is either also already present within the parent drug compound or is specifically added to the parent drug compound via connection to Ø; X is a carboxyl, sulfoxyl or phosphatyl function that is specifically added to the parent drug compound via connection to R; and, R' is an added alkyl, alkenyl, or aralkyl group either branched or unbranched containing from 1 to 10 carbons, other common leaving group, or a structural element already present as an inherent portion of the parent drug compound.

The invention provides a drug target relationship prediction method based on deep forest and PU learning. The drug-target relationship prediction method comprises the following steps: S1, acquiring structural information of a drug, sequence information of a target and a known drug-target relationship; s2, respectively constructing a similarity matrix between drugs and a similarity matrix between targets based on the drug structure information and the target sequence information; s3, screening a potential drug-target negative correlation relationship by adopting PU learning; and S4, based on the hypothesis that similar drugs share similar targets, predicting the drug-target relationship by using a deep forest model. According to the method, the drug target relationship can be predicted more accurately, time and resources required by biological experiments can be reduced, and a research basis is provided for drug discovery and drug relocation.

The invention relates to a preparation method of alkynyl amine compounds and products obtained by the preparation method, and belongs to the technical field of chemical synthesis. The method comprisesthe following steps: adding a secondary amine compound, copper sulfate pentahydrate, 1,10-phenanthroline and potassium carbonate into a 4 mL reaction flask, adding 2 wt% a surfactant APGS-550-M aqueous phase system, adding alkynyl bromide, performing heating to 50 DEG C, performing continuous stirring at 900-1000 rpm for 26 h, performing extraction for three times by using ethyl acetate, performing rotary evaporation concentration, and performing separation by using silica gel column chromatography to obtain the products. The method provided by the invention can be used for derivation of natural products and synthesis of drug structures; and the method has the following advantages: 1) water is used for replacing an organic solvent, so that the environmental pollution is reduced; 2) the reaction temperature is reduced, and the energy consumption is reduced; and 3) byproducts are few and the yield is high.

The invention discloses magnesium Danshensu and its preparation method and use. The magnesium Danshensu is a drug for preventing and treating cardiovascular and cerebrovascular diseases. The preparation method has the advantages of easily available raw materials, simple processes and high yield. The magnesium Danshensu has a good structure, good curative effects, low toxicity and strong druggability.