37 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.

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.

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 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 oligonucleotie 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).

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.

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.

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 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.

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.

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 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.