35 results about "Small Molecule Libraries" patented technology

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.

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.

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.

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.

Methods and compositions are provided for identifying novel ligands for a protein target.

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.

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.

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.

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.

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.

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.

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.

The invention relates to the technical field of medicines, and relates to application of etravirine in preparation of medicines for resisting tick-borne encephalitis virus (TBEV), west nile virus (WNV), yellow fever virus (YFV) and chikungunya fever virus (CHIKV) infection. The medicine for resisting TBEV, WNV, YFV and CHIKV infection is a medicine for preventing or treating TBEV, WNV, YFV and CHIKV infection by taking etravirine as a unique active ingredient, or a medicine composition containing etravirine and a medicine for preventing or treating TBEV, WNV, YFV and CHIKV infection. By utilizing an experimental operation system of TBEV susceptible cells, small molecule drugs capable of inhibiting infection are screened from a clinical drug small molecule library, and the screened etravirine can effectively inhibit the TBEV from infecting human hepatoma cells Huh7, is relatively low in cytotoxicity, has an inhibiting effect on WNV, YFV and CHIKV, can be used as a potential drug for resisting TBEV, WNV, YFV and CHIKV, and has an application prospect.