AIMC Topic: Pyrroles

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Pyrrovobasine, hybrid alkylated pyrraline monoterpene indole alkaloid pseudodimer discovered using a combination of mass spectral and NMR-based machine learning annotations.

Organic & biomolecular chemistry Dec 22, 2021
A new vobasine-tryptamine-based monoterpene indole alkaloid pseudodimer was isolated from the stem bark of . As a minor constituent occurring in a thoroughly investigated plant, this molecule was targeted based on a molecular networking strategy and ...
Machine Learning Mass Spectrometry Indole Alkaloids Alkylation Norleucine Voacanga Monoterpenes Magnetic Resonance Spectroscopy Pyrroles
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Deep learning-driven scaffold hopping in the discovery of Akt kinase inhibitors.

Chemical communications (Cambridge, England) Oct 12, 2021
Scaffold hopping has been widely used in drug discovery and is a topic of high interest. Here a deep conditional transformer neural network, SyntaLinker, was applied for the scaffold hopping of a phase III clinical Akt inhibitor, AZD5363. A number of...
Pyrroles Humans Proto-Oncogene Proteins c-akt Drug Discovery Protein Kinase Inhibitors Deep Learning Pyrimidines Molecular Structure
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Polypyrrole-Based Nanorobots Powered by Light and Glucose for Pollutant Degradation in Water.

ACS applied materials & interfaces Mar 31, 2021
Novel photoactive and enzymatically active nanomotors were developed for efficient organic pollutant degradation. The developed preparation route is simple and scalable. Light-absorbing polypyrrole nanoparticles were equipped with a bi-enzyme [glucos...
Water Pollutants, Chemical Pyrroles Sunlight Microscopy, Electron, Scanning Microscopy, Electron, Transmission Robotics Spectrophotometry, Ultraviolet Polymers Glucose
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Parallel Signal Processing of a Wireless Pressure-Sensing Platform Combined with Machine-Learning-Based Cognition, Inspired by the Human Somatosensory System.

Advanced materials (Deerfield Beach, Fla.) Dec 16, 2019
Inspired by the human somatosensory system, pressure applied to multiple pressure sensors is received in parallel and combined into a representative signal pattern, which is subsequently processed using machine learning. The pressure signals are comb...
Machine Learning Wearable Electronic Devices Polymers Humans Pyrroles Wireless Technology Electrodes Dimethylpolysiloxanes Pressure
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Design, synthesis and biological evaluation of 7H-pyrrolo[2,3-d]pyrimidin-4-amine derivatives as selective Btk inhibitors with improved pharmacokinetic properties for the treatment of rheumatoid arthritis.

European journal of medicinal chemistry Dec 28, 2017
Bruton's tyrosine kinase (Btk) is a Tec family kinase with a well-defined role in the B cell receptor (BCR) and Fcγ receptor (FcR) signaling pathways, which makes it a uniquely attractive target for the treatment of autoimmune diseases, such as rheum...
Microsomes, Liver Protein Kinase Inhibitors Pyrimidines Cell Proliferation Models, Molecular Agammaglobulinaemia Tyrosine Kinase Rats, Sprague-Dawley Molecular Structure Haplorhini Cell Line Humans Mice Dose-Response Relationship, Drug Dogs Animals Arthritis, Rheumatoid Protein-Tyrosine Kinases Pyrroles Drug Design Rats Structure-Activity Relationship
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Pharmacokinetic and safety profile of tofacitinib in children with polyarticular course juvenile idiopathic arthritis: results of a phase 1, open-label, multicenter study.

Pediatric rheumatology online journal Dec 28, 2017
BACKGROUND: Juvenile idiopathic arthritis (JIA) is the most common pediatric rheumatic disease and a leading cause of childhood disability. The objective of this study was to characterize the PK, safety, and taste acceptability of tofacitinib in pati...
Arthritis, Juvenile Piperidines Protein Kinase Inhibitors Pyrimidines Pyrroles Treatment Outcome Humans Administration, Oral Female Adolescent Taste Male Child, Preschool Child
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Spectrophotometric determination of fluoxetine by molecularly imprinted polypyrrole and optimization by experimental design, artificial neural network and genetic algorithm.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Sep 13, 2017
A selective method based on molecularly imprinted polymer (MIP) solid-phase extraction (SPE) using UV-Vis spectrophotometry as a detection technique was developed for the determination of fluoxetine (FLU) in pharmaceutical and human serum samples. Th...
Solutions Fluoxetine Polymers Molecular Imprinting Calibration Reference Standards Spectrophotometry Pyrroles Neural Networks, Computer Algorithms Regression Analysis
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Protective coatings for intraocular wirelessly controlled microrobots for implantation: Corrosion, cell culture, and in vivo animal tests.

Journal of biomedical materials research. Part B, Applied biomaterials Jan 24, 2016
Diseases in the ocular posterior segment are a leading cause of blindness. The surgical skills required to treat them are at the limits of human manipulation ability, and involve the risk of permanent retinal damage. Instrument tethering and design l...
Pyrroles Wireless Technology Implants, Experimental Female Rabbits Cobalt Materials Testing NIH 3T3 Cells Gold Coated Materials, Biocompatible Animals Injections, Intraocular Nickel Mice Robotics Polymers
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