7 results about "Metabolizing enzymes" patented technology

The present invention relates to the prediction of drug-metabolizing enzyme (DME) inhibitors. Inhibition of DMEs can lead to adverse drug-drug interactions, and therefore predicting DME inhibition by a determined molecule is crucial for preventing drug toxicity. The inventors have developed a protocol for an integrated in silico protein structure-based machine learning approach to predict DME inhibition. Specifically, the present invention relates to a method for training a model for predicting DME inhibition, which includes selecting a number of descriptors from an initial set including physicochemical descriptors and binding energies in at least one enzyme configuration, and training a classification model on a training database of known inhibitors or non-inhibitors based on the selected descriptors as input. This approach successfully predicted the inhibition of CYP2C9, CYP2D6, SULT1A1, SULT1A3, and UGT1A1.

The present invention addresses the problem of providing an inexpensive and simple means for evaluating dynamics of Trp and activity of Trp-metabolizing enzyme within a living organism. One aspect of the present invention relates to a compound represented by formula (I) (in the formula, R1, R2, R3, RN1, and RN2 have the same meanings as defined in the specification or claims), a salt thereof, or a solvate thereof. Another aspect of the present invention also relates to: a tryptophan-metabolizing enzyme activity measurement agent comprising the compound according to one aspect of the present invention, a salt thereof, or a solvate thereof; a tryptophan-metabolizing enzyme activity measurement kit comprising the tryptophan-metabolizing enzyme activity measurement agent; a composition comprising the compound according to one aspect of the present invention, a salt thereof, or a solvate thereof, and one or more components; a pharmaceutical composition comprising the compound according to one aspect of the present invention, a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable solvate thereof, and one or more pharmaceutically acceptable components; and a method for measuring tryptophan-metabolizing enzyme activity.

The invention discloses an enzyme for metabolizing glyphosate as well as a gene promoter and application thereof. According to the invention, the glyphosate tolerant germplasm Kitaake is screened for the first time. Moreover, the glycosyl transferase gene GRGT1 (Os04g0206500) which plays a key role in improving the glyphosate tolerance is identified in Kitaake for the first time, and the gene expression level under the stress of glyphosate is remarkably improved due to deletion of a single base A at a site 803 in a promoter region of the glycosyl transferase gene GRGT1 (Os04g0206500). The GRGT1 protease can catalyze a glycosylation reaction between glyphosate and two glycosyl donors UDP-glucose and UDP-glucuronic acid to generate low-toxicity derivatives M331 and M345, so that the residue of glyphosate in rice is reduced. The invention systematically discloses a glyphosate-resistant glycosylation metabolism mechanism of rice, discovers a new glyphosate metabolism gene, and provides a basis for creating efficient resistant germplasm resources.

The purpose of the present invention is to provide compounds represented by formula 1 capable of inhibiting EZH2, stereoisomers, enantiomers, diastereomers, or mixtures of different stereoisomers thereof, and pharmaceutically acceptable salts thereof, as well as a preparation method therefor and the use thereof. The compounds have very good inhibitory activity on PRC2-dependent tumor cells, and have the advantages of good pharmacokinetic properties, good solubility, good stability, basically no induction effect on hepatic drug metabolizing enzymes, and low toxicity. The compounds have good application prospects in drug treatment of diseases (such as tumors) caused by PRC2.

This disclosure relates to a method for establishing a HepaRG-based differentiated liver 3D microsphere model and its applications. Specifically, this disclosure provides a chemically defined differentiation medium formulation that does not require DMSO and contains hepatocyte growth factor, dexamethasone, and hepatoprotectin M. Using this medium, HepaRG cells can be efficiently induced to form compact, long-lived 3D microspheres in ultra-low adsorption 96-well plates or in conjunction with high-throughput 3D printing technology. After differentiation and maturation, the model can stably express hepatocyte markers, key drug-metabolizing enzymes, and nuclear receptors at high levels. The liver 3D microsphere model established by this disclosure can effectively simulate hepatocyte function in vivo and is suitable for high-throughput drug hepatotoxicity screening. The results show a high degree of consistency with clinical hepatotoxicity data, and it has important application value in the field of drug safety evaluation.

The invention discloses a drug-resistant main protease inhibitor with stable metabolism and application thereof in preparation of antiviral drugs. In the main protease inhibitor, a group C not only can be effectively combined with an active pocket of main protease, but also the combination mainly depends on the 163rd amino acid site of the main protease; meanwhile, the group C is relatively difficult to oxidize, so that the main protease inhibitor can show basically consistent inhibitory activity to both mutant strains and wild strains, viruses do not generate drug resistance to the main protease inhibitor, and the main protease inhibitor can tolerate liver drug enzyme metabolism, has excellent drug-resistant activity and metabolic stability, and can be used for preparing the main protease inhibitor. In use, a liver drug enzyme inhibitor does not need to be used cooperatively, and reduction of self liver function decline and toxic and side effects caused by medicine taking is facilitated. In addition, the group A not only can further improve the inhibitory activity of the main protease inhibitor on the main protease, but also can enhance the anti-drug resistance activity and metabolic stability of the main protease inhibitor; and the ring B mainly plays a role in further improving the inhibitory activity of the main protease inhibitor on the main protease.

The invention discloses application of lactobacillus reuteri DSM17938 and a product of the lactobacillus reuteri DSM17938. Aiming at the technical problems that the existing chemical anti-alcohol medicine has side effects and the anti-alcohol effect of common probiotics is unstable, the key point of the technical scheme of the invention is to provide application of a specific strain DSM17938 in preparation of functional foods or medicaments, and the viable organism content of lactobacillus reuteri DSM17938 in the product is 1 * 10 < 9 >-5 * 10 < 10 > CFU / mL or CFU / g; the product can effectively improve the content of alcohol dehydrogenase (ADH) and acetaldehyde dehydrogenase (ALDH) in the body, and further improve the total activity of the body, thereby prolonging the drunkenness latency of alcohol gavage mice and shortening the drunkenness sleep time of the mice. The invention also provides yoghurt which is prepared by fermenting the strain and has the effect of increasing the content of alcohol metabolic enzyme, and medicaments such as oral liquid and capsules containing the strain. The main purpose of the invention is to provide a safe, efficient and stable probiotic solution for relieving drunkenness symptoms, promoting alcohol metabolism and protecting the liver.