AIMC Topic: Pyrroles
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In-silico investigation integrated with machine learning to identify potential inhibitors targeting AKT2: Key driver of cancer cell progression and metastasis.
Computer methods and programs in biomedicine
Apr 18, 2025
BACKGROUND AND OBJECTIVE: In search of a key driver for the invasive growth of cancer metastasis, AKT2 is found to be exceptionally expressed in colorectal cancer and its metastasis. Again, exceeding genomic arrangements of AKT2 can be held responsib...
Hierarchical Crack Engineering-Enabled High-Linearity and Ultrasensitive Strain Sensors.
ACS sensors
Mar 5, 2025
Growing imperative for intelligent transformation of electro-ionic actuators in soft robotics has necessitated self-perception for accurately mapping their nonlinear dynamic responses. Despite the promise of integrating crack-based strain sensors for...
A deep-learning model for predicting tyrosine kinase inhibitor response from histology in gastrointestinal stromal tumor.
The Journal of pathology
Feb 14, 2025
Over 90% of gastrointestinal stromal tumors (GISTs) harbor mutations in KIT or PDGFRA that can predict response to tyrosine kinase inhibitor (TKI) therapies, as recommended by NCCN (National Comprehensive Cancer Network) guidelines. However, gene seq...
Deep Learning
Treatment Outcome
Mutation
Aged
Male
Middle Aged
Pyrazoles
Protein Kinase Inhibitors
Pyrroles
Gastrointestinal Neoplasms
Gastrointestinal Stromal Tumors
Imatinib Mesylate
Humans
Female
Receptor, Platelet-Derived Growth Factor alpha
Triazines
Proto-Oncogene Proteins c-kit
Tyrosine Kinase Inhibitors
Machine learning prediction and explanatory models of serious infections in patients with rheumatoid arthritis treated with tofacitinib.
Arthritis research & therapy
Aug 27, 2024
BACKGROUND: Patients with rheumatoid arthritis (RA) have an increased risk of developing serious infections (SIs) vs. individuals without RA; efforts to predict SIs in this patient group are ongoing. We assessed the ability of different machine learn...
Conductive interpenetrating network organohydrogels of gellan gum/polypyrrole with weather-tolerance, piezoresistive sensing and shape-memory capability.
International journal of biological macromolecules
Feb 15, 2024
To develop ecofriendly multifunctional gel materials for sustainable flexible electronic devices, composite organohydrogels of gellan gum (GG) and polypyrrole (PPy) with an interpenetrating network structure (IPN-GG/PPy organohydrogels) were develope...
Simultaneous Sensing and Actuating Capabilities of a Triple-Layer Biomimetic Muscle for Soft Robotics.
Sensors (Basel, Switzerland)
Nov 12, 2023
This work presents the fabrication and characterization of a triple-layered biomimetic muscle constituted by polypyrrole (PPy)-dodecylbenzenesulfonate (DBS)/adhesive tape/PPy-DBS demonstrating simultaneous sensing and actuation capabilities. The musc...
Biohybrid Variable-Stiffness Soft Actuators that Self-Create Bone.
Advanced materials (Deerfield Beach, Fla.)
Jan 17, 2022
Inspired by the dynamic process of initial bone development, in which a soft tissue turns into a solid load-bearing structure, the fabrication, optimization, and characterization of bioinduced variable-stiffness actuators that can morph in various sh...
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 ...
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...
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...
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