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37 results about "Small Molecule Libraries" patented technology
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Large collections of small molecules (molecular weight about 600 or less), of similar or diverse nature which are used for high-throughput screening analysis of the gene function, protein interaction, cellular processing, biochemical pathways, or other chemical interactions.
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS7005255B2Speed up the processNervous disorderMetabolism disorderDiseaseSmall Molecule Libraries
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS20060134676A1Speed up the processMicrobiological testing/measurementDisease diagnosisSmall Molecule LibrariesAltered state
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:METABOLON +1
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS20060134677A1Speed up the processMicrobiological testing/measurementDisease diagnosisSmall Molecule LibrariesAltered state
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS20020009740A1Quick and relatively inexpensiveQuick identificationNervous disorderMetabolism disorderDiseaseSmall Molecule Libraries
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Methods for drug discovery disease treatment, and diagnosis using metabolomics
InactiveUS20060134678A1Speed up the processMicrobiological testing/measurementDisease diagnosisSmall Molecule LibrariesAltered state
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS20050014132A1Speed up the processSmall shapeMicrobiological testing/measurementDisease diagnosisSmall Molecule LibrariesAltered state
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Methods for drug discovery, disease treatment, and diagnosis using metabolomics
InactiveUS20040146853A1Speed up the processNarrow focusNervous disorderMetabolism disorderDiseaseSmall Molecule Libraries
The small molecule profiles of cells are compared to identify small molecules which are modulated in altered states. Cellular small molecule libraries, methods of identifying tissue sources, methods for treating genetic and non-genetic diseases, and methods for predicting the efficacy of drugs are also discussed.
Owner:CORNELL RES FOUNDATION INC +1
Substituted pyridazines as EGFR and/or KRAS inhibitors
The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.
Owner:SLOAN KETTERING INST FOR CANCER RES
Lead compound of Anti-hypertensive drug and method for screening the same
A system for screening a small molecule library with 250,000 molecules to find out a compound of an anti-hypertensive drug aiming at human Angiotensin II type IA receptor is provided. The system includes a first database having a three-dimensional structure datum of a human Angiotensin II type IA receptor, a second database having molecular data of a plurality of small molecules, and a computer acquiring the three-dimensional structure datum and the molecular data from the first database and the second database respectively, wherein the computer has a molecular docking software for calculating a free energy of the human Angiotensin II type IA receptor bound to each of the plurality of small molecules, ranks the plurality of small molecules according to the respective free energy so as to select a top small molecule in the ranking as the compound of the drug.
Owner:WU HSIN HSIEN
Multiparameter FACS assays to detect alterations in cellular parameters and to screen small molecule libraries
InactiveUS20070172818A1Strong specificityPeptide librariesMicrobiological testing/measurementFluorescenceSmall Molecule Libraries
The invention relates to novel methods of detecting alterations in cell cycle regulation in a cell or a cell population and screening for agents capable of modulating cell cycle regulation through the use of multiparameter assays and a fluorescence-activated cell sorter (FACS) machine.
Owner:RIGEL PHARMA
Identification and Use of Non-Peptide Analogs of RNAIII-Inhibiting Peptide for the Treatment of Staphylococcal Infections
InactiveUS20070293435A1Reduce and prevent sameAvoid bacterial infectionBiocideOrganic active ingredientsPharmacophoreHamamelitannin
RNAIII inhibiting peptide (RIP) has been established as an effective inhibitor of staphylococcal infections. Non-peptide small molecule analogs based on a pharmacophore conforming to the putative atomic structure of RIP, can be identified by computer screening of that pharmacophore against established libraries of known small molecules other than peptides. One such identified structural analog is hamamelitannin. When tested for effective inhibition of staphylococcal infections, hamamelitannin demonstrated inhibition similar to that exhibited by RIP. Other analogs can be identified and similarly used.
Owner:CASE WESTERN RESERVE UNIV +1
Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications
The present invention relates to novel CD40:CD154 binding interrupter compounds and use of these compounds and pharmaceutical compositions comprising them, to treat conditions associated with inappropriate CD154 activation in a subject. Specifically, this invention provides compounds which are identified by screening a library of small molecules for those that are capable of specifically binding CD154 and interrupting CD40:CD154 interaction.
Owner:ZHENG ZHONGLI +11
Template directed split and mix systhesis of small molecule libraries
ActiveUS8168381B2Increase generationEnhanced cellular uptakeSequential/parallel process reactionsSugar derivativesCombinatorial chemistryBiochemistry
Owner:NUEVOLUTION AS
Nucleic acid-scaffolded small molecule libraries
InactiveUS20160266133A1Sugar derivativesMicrobiological testing/measurementSmall Molecule LibrariesBioinformatics
Owner:ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIV
Template directed split and mix systhesis of small molecule libraries
ActiveUS20090209430A1Increase generationSequential/parallel process reactionsSugar derivativesCombinatorial chemistrySmall Molecule Libraries
The present invention provides a method for combining the advantages of encoded molecule fragments made by split and mix synthesis with the advantages of template directed synthesis of molecules. The method provided in the invention comprises the steps of: Adding a linker molecule L to one or more reaction wells; Adding a molecule fragment to each of said reaction wells; Adding an oligonucleotide identifier to each of said reaction wells; Subjecting said wells to conditions sufficient to allow said molecule fragments and said oligonucleotide identifiers to become attached to said linker molecule, or conditions sufficient for said molecule fragments to bind to other molecule fragments and sufficient for said oligonucleotide identifiers to bind to other oligonucleotide identifiers; Combining the contents of said one or more reaction wells; Optionally, distributing the combined product to one or more new reaction wells; Optionally, repeating steps b) to e) one or more times; Contacting the resulting bifunctional molecule(s) of step e) or g) with one or more Contacting the resulting bifunctional molecule(s) of step e) or g) with one or more (oligonucleotide) templates each capable of hybridizing to at least one of the oligonucleotide identifiers added in step c).
Owner:NUEVOLUTION AS
Cryptic metabolites and method for activating silent biosynthetic gene clusters in diverse microorganisms
Microorganisms are prolific producers of natural products and are a group of molecules that make up the majority of drugs approved by the FDA in the past 35 years. After decades of mining, the low-hanging fruit has been picked and so the discovery of drug-like molecules from microorganisms has come to a near-halt. The reason for this lack of productivity is that most biosynthetic pathways that give rise to natural products are not active under typical laboratory growth conditions. These so-called cryptic or silent pathways are a major source of new bioactive molecules and methods that reliablyactivate them could have a profound impact on drug discovery. Disclosed herein is a rapid genetics-free method for eliciting and detecting cryptic metabolites using an imaging mass spectrometry-basedapproach. An organism of choice is challenged with elicitors from a small molecule library. The molecules elicited are then imaged by mass spec, which allows for rapid identification of cryptic metabolites. The cryptic metabolites are then isolated and characterized. The use of disclosed methods activates the production of recessive glycopeptides from actinomycete bacteria. The resulted molecules, the keratinimicins and keratinicyclins, are metabolites with important structural features. At least two of these, namely keratinimicins B and C, are highly bioactive against several pathogenic strains. The approach will allow for the rapid activation and identification of cryptic metabolites from diverse microorganisms in the future.
Owner:PRINCETON UNIV
Anti-inflammatory inhibitor screening model taking MyD88TIR (myeloid differentiation primary response protein 88 Toll/interleukin-1 receptor) dimerization as target point and application thereof
InactiveCN102321586AImprove throughputMicrobiological testing/measurementFluorescence/phosphorescenceChemical synthesisDisease
The invention relates to an anti-inflammatory inhibitor screening model taking MyD88TIR (myeloid differentiation primary response protein 88 Toll / interleukin-1 receptor) dimerization as a target point and application thereof. The anti-inflammatory inhibitor screening model taking the MyD88TIR dimerization as the target point is characterized in that: an MyD88TIR builds fusion protein plasmids together with protein genes GFP / RFP (Green fluorescent protein / Red fluorescent protein) of a fluorescence donor and a fluorescent receptor, and the fusion protein plasmids are transfected into mammalian cells to build dual-positive expression cell strains; the FRET (fluorescence resonance energy transfer) phenomenon can be detected; when an MyD88TIR dimerization inhibitor exists in a culture medium, the cell strains which depend on dual-positive to express GFP-MyD88-TIR and RFP-MyD88-TIR are suggested, and whether the inhibitor directly blocks the interaction of the TIRs or not can be further determined according to in vitro binding analysis; and combined with the fluorescent FRET blocking results of eukaryotic cells and prokaryotic expression recombinant protein interaction analysis, the MyD88TIR dimerization inhibitor can be determined. The model can be used for widely screening commercialized small molecule libraries, self-prepared natural product components, or various chemical compounds, and modifiers, from which MyD88 dimerization inhibitory compounds are obtained to participate in the drug screening of MyD88 signal pathway-dependent chronic inflammation and autoimmune diseases.
Owner:NORTHEAST NORMAL UNIVERSITY
In-vitro efficient preparation method and application of mesenchymal stem cells derived from human inducible pluripotent stem cells
The invention discloses an in-vitro efficient preparation method and application of mesenchymal stem cells derived from human inducible pluripotent stem cells. The preparation method comprises the following steps: 1) culturing and amplifying human inducible pluripotent stem cells (hiPSCs); 2) through the strategy of library screening and combination optimization of chemical small molecules, jointly treating the hiPSCs for nine days by utilizing two chemical small molecules, namely LLY-507 and AZD5153 so as to obtain hiPSC-derived mesenchymal precursor cells with a CD73 positive mesenchymal stem cell proportion of 80% or above; 3) subculturing the mesenchymal precursor cells twice to obtain further mature CD73<+>CD105<+> hiPSC-derived mesenchymal stem cells (hiPSC-MSCs); and 4) identifyingthe prepared CD73<+>CD105<+> hiPSC-derived cells as mesenchymal stem cells on the basis of immunological means and cytobiological analysis. Experimental results prove that through usage of the chemical small molecule combination treatment strategy, the efficiency of producing the mesenchymal stem cells by differentiation of the hiPSCs can be substantially improved; and low-expression pluripotencyrelated marker molecules of the hiPSC-MSCs have the typical functions of adipogenesis, osteogenesis and chondrogenesis differentiation and low immunogenicity, and can be used for treating immune related diseases.
Owner:云南东森生物科技有限公司
Identification and use of small molecules to modulate transcription factor function and to treat transcription factor associated diseases
The present invention relates to methods of identifying small molecule candidate agents capable of modulating transcription factor function such that the function / expression of a target transcription factor and / or proteins downstream of this target protein comprises the screening of small molecule libraries using in silico high throughput docking for candidate small molecules / agents that are selectively identified for their ability to target and disrupt the transcription factor-DNA interface through unique transcription factor and / or DNA descriptors that are defined within a pharmacophore, and then testing / evaluating the candidate agents identified above through one or more in vitro assays for their ability to modulate transcription factor function including expression of this target protein and / or proteins that are downstream of the target transcription factor. The present invention also relates to various compounds described herein (e.g., a compound of Formula XI), their pharmaceutically acceptable salts and to methods of using said compounds as described herein.
Owner:BETH ISRAEL DEACONESS MEDICAL CENT INC
High-throughput method to rapidly add chemical moieties to a small molecule library
Organic compounds for target identification, drug discovery, chemical library production, high-throughput screening, fluorophore conjugation, chemiluminescent compound conjugation, creation of proximity induced modulators (e.g., protein degraders) / chimeric molecules, or a combination thereof are described. The compounds can contain small molecule moieties for identification of their potential targets; an isocyanate, photoactivatable groups; chemical moieties for enrichment and detection of target-small molecule moiety interactions; proximity induced modulator element; fluorophores; chemiluminescent groups; or combinations thereof.
Owner:MASSACHUSETTS INST OF TECH +1
Lead compound of Anti-hypertensive drug and method for screening the same
Owner:WU HSIN HSIEN
Modified GPR75 and application thereof
ActiveCN114276460AEasy to purifyImprove stabilityHybrid peptidesDNA/RNA fragmentationPhosphorylationWild type
The invention discloses a modified GPR75 (Glutathione Protein Receptor 75) and application thereof. The present invention provides a modified GPR75 comprising: a first domain comprising an amino acid sequence derived from a [beta] 2 adrenergic receptor, a second domain comprising an amino acid sequence derived from a [beta] 2 adrenergic receptor, and a third domain comprising an amino acid sequence derived from a [beta] 2 adrenergic receptor, and the second structural domain is a structural domain which is formed by deleting an irregular sequence between a fifth transmembrane helix and a sixth transmembrane helix and irregular sequences of an N terminal and a C terminal in wild type GPR75 and is connected between the fifth transmembrane helix and the sixth transmembrane helix through an amino acid sequence derived from BRIL fusion protein. The modified GPR75 provided by the invention can be used for GPR75 structure analysis, fluorescent molecular marking, phosphorylated polypeptide or signal protein fusion, GPR75 activity analysis, nucleic acid coding small molecule library screening, and computer-aided drug design and drug screening.
Owner:SHUIMU BIOSCIENCES LTD
Cryptic metabolites and method for activating silent biosynthetic gene clusters in diverse microorganisms
Microorganisms are prolific producers of natural products, a group of molecules that make up the majority of drugs approved by the FDA in the past 35 years. After decades of mining, the low-hanging fruit has been picked and so discovery of drug-like molecules from microorganisms has come to a near-halt. The reason for this lack of productivity is that most biosynthetic pathways that give rise to natural products are not active under typical laboratory growth conditions. These so-called ‘cryptic’ or ‘silent’ pathways are a major source of new bioactive molecules and methods that reliably activate them could have a profound impact on drug discovery. Disclosed herein is a rapid genetics-free method for eliciting and detecting cryptic metabolites using an imaging mass spectrometry-based approach. An organism of choice is challenged with elicitors from a small molecule library. The molecules elicited are then imaged by mass spec, which allows for rapid identification of cryptic metabolites. These are then isolated and characterized. Employing the disclosed approach activated production of cryptic glycopeptides from an actinomycete bacterium. The molecules that result, the keratinimicins and keratinicyclins, are metabolites with important structural features. At least two of these, keratinimicins B and C, are highly bioactive against several pathogenic strains. This approach will allow for rapid activation and identification of cryptic metabolites from diverse microorganisms in the future.
Owner:THE TRUSTEES FOR PRINCETON UNIV
Application of elemin in the preparation of medicines for treating lysosomal storage diseases
ActiveCN111671739BInhibit storageRecovery managementMetabolism disorderEther/acetal active ingredientsLysosomeCholesterol
The invention discloses the application of the small molecular compound elemin in the preparation of medicine for treating lysosomal storage diseases. In the present invention, by screening a small molecule library of natural extracts, the small molecule compound elemin is screened from 850 kinds of natural small molecules, which can effectively inhibit the phenotype of lysosomal storage diseases, for example, it can inhibit the volume of lysosomes increase, inhibit cholesterol storage, significantly restore inhibited lysosome tube formation, significantly restore tolerance to repeated starvation and reduce cell death rate, so as to achieve the purpose of reducing damage and inhibiting the development of the disease. Elemin has the prospect of being developed as a broad-spectrum drug for the treatment of lysosomal storage diseases.
Owner:ZHEJIANG UNIV
Pyridazinones and furan-containing compounds
The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.
Owner:SLOAN KETTERING INST FOR CANCER RES
Tobacco microRNA detection method under phytophthora parasitica stress
The invention belongs to the technical field of biology, and particularly relates to a tobacco microRNA detection method under phytophthora parasitica stress. The method is as follows: preparing a spore suspension of phytophthora parasitica physiological race, manually injecting the spore suspension of phytophthora parasitica physiological race into the basal part of a tobacco stem to obtain a detection sample, detecting phytophthora parasitica stress response miRNA, constructing a miRNA library in response to tobacco phytophthora parasitica stress through the research of the detection technology, adopting an Illumina / Solex deep sequencing technology to mine and analyze miRNA information related to tobacco phytophthora parasitica resistance, so that the understanding of the tobacco miRNA function is further enriched.
Owner:KUNMING UNIV
Multiparameter FACS assays to detect alterations in cellular parameters and to screen small molecule libraries
InactiveUS8334238B2Microbiological testing/measurementLibrary screeningSmall Molecule LibrariesCell cycle
The invention relates to novel methods of detecting alterations in cell cycle regulation in a cell or a cell population and screening for agents capable of modulating cell cycle regulation through the use of multiparameter assays and a fluorescence-activated cell sorter (FACS) machine.
Owner:RIGEL
Cross-cloud cross-region large-scale virtual screening method and system and storage medium
The invention discloses a cross-cloud cross-region large-scale virtual screening method and system and a storage medium, large-scale small molecule libraries are classified in a unified database according to a certain rule, all cloud computing servers search for uncomputed categories from the unified database, and the categories are downloaded and marked as computing states at the same time; and the cloud computing server writes a screening and docking result into the local computing node in the screening and docking process. After calculation of one category is completed, the calculation server node repeats the above operations until all categories in the database are identified as calculation states. And each computing server writes the numbers of a plurality of micromolecules with the highest score back to a unified database after finishing screening of the downloaded category micromolecules. According to the scheme, the technical problems that according to an existing large-scale virtual screening scheme on the cloud, cross-cloud and cross-region screening cannot be achieved, screening can only be conducted in a single region of a single cloud, implementation is difficult, and popularization is not convenient are solved.
Owner:深圳北鲲云计算有限公司
Anti-inflammatory inhibitor screening model taking MyD88TIR (myeloid differentiation primary response protein 88 Toll/interleukin-1 receptor) dimerization as target point and application thereof
InactiveCN102321586BImprove throughputMicrobiological testing/measurementFluorescence/phosphorescenceChemical synthesisDisease
The invention relates to an anti-inflammatory inhibitor screening model taking MyD88TIR (myeloid differentiation primary response protein 88 Toll / interleukin-1 receptor) dimerization as a target point and application thereof. The anti-inflammatory inhibitor screening model taking the MyD88TIR dimerization as the target point is characterized in that: an MyD88TIR builds fusion protein plasmids together with protein genes GFP / RFP (Green fluorescent protein / Red fluorescent protein) of a fluorescence donor and a fluorescent receptor, and the fusion protein plasmids are transfected into mammalian cells to build dual-positive expression cell strains; the FRET (fluorescence resonance energy transfer) phenomenon can be detected; when an MyD88TIR dimerization inhibitor exists in a culture medium, the cell strains which depend on dual-positive to express GFP-MyD88-TIR and RFP-MyD88-TIR are suggested, and whether the inhibitor directly blocks the interaction of the TIRs or not can be further determined according to in vitro binding analysis; and combined with the fluorescent FRET blocking results of eukaryotic cells and prokaryotic expression recombinant protein interaction analysis, the MyD88TIR dimerization inhibitor can be determined. The model can be used for widely screening commercialized small molecule libraries, self-prepared natural product components, or various chemical compounds, and modifiers, from which MyD88 dimerization inhibitory compounds are obtained to participate in the drug screening of MyD88 signal pathway-dependent chronic inflammation and autoimmune diseases.
Owner:NORTHEAST NORMAL UNIVERSITY
Multiparameter FACS Assays to Detect Alterations in Cellular Parameters and to Screen Small Molecule Libraries
The invention relates to novel methods of detecting alterations in cell cycle regulation in a cell or a cell population and screening for agents capable of modulating cell cycle regulation through the use of multiparameter assays and a fluorescence-activated cell sorter (FACS) machine.
Owner:RIGEL PHARMA INC
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