AIMC Topic: Phosphatidylinositol 3-Kinases
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Finerenone Modulates PANoptosis to Improve Immune Microenvironment in Diabetic Nephropathy: A Machine Learning-Based Mechanistic Analysis.
Journal of molecular neuroscience : MN
Aug 7, 2025
Diabetic nephropathy (DN) is characterized by nephron degeneration induced by hyperglycemia, driven by complex interactions between glucose metabolism dysregulation and immune microenvironment dynamics. This study employed machine learning and bioinf...
TRIM29 alleviates intervertebral disc degeneration through the PI3K/AKT/mTOR pathway.
Scientific reports
Jul 10, 2025
Intervertebral disc degeneration (IDD), a prevalent spinal condition linked to low back pain, has substantial genetic components, necessitating deeper understanding of its mechanisms. This study categorized nucleus pulposus cell (NPC) populations and...
A computational study of cardiac glycosides from Vernonia amygdalina as PI3K inhibitors for targeting HER2 positive breast cancer.
Journal of computer-aided molecular design
Jul 6, 2025
The PI3K/Akt pathway plays a crucial role in regulating a broad network of proteins involved in the proliferation of HER2-positive breast cancer. The ethyl acetate fraction of Vernonia amygdalina, which contains cardiac glycosides, has been shown to ...
Quantitative Structure-Activity Relationship
Protein Kinase Inhibitors
Phosphoinositide-3 Kinase Inhibitors
Phosphatidylinositol 3-Kinases
Molecular Dynamics Simulation
Receptor, ErbB-2
Cardiac Glycosides
Humans
Machine Learning
Molecular Docking Simulation
Class I Phosphatidylinositol 3-Kinases
Female
Breast Neoplasms
Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation.
Journal of molecular graphics & modelling
Mar 15, 2025
PI3KC2α is a lipid kinase associated with cancer metastasis and thrombosis. In this study, we present a novel computational workflow integrating structure-based pharmacophore modeling, machine learning (ML), and molecular dynamics (MD) simulations to...
iDCNNPred: an interpretable deep learning model for virtual screening and identification of PI3Ka inhibitors against triple-negative breast cancer.
Molecular diversity
Dec 8, 2024
Triple-negative breast cancer (TNBC) lacks estrogen, progesterone, and HER2 expression, accounting for 15-20% of breast cancer cases. It is challenging due to low therapeutic response, heterogeneity, and aggressiveness. The PI3Ka isoform is a promisi...
Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling.
Molecular diversity
Aug 17, 2024
Cancer is a generic term for a group of disorders defined by uncontrolled cell growth and the potential to invade or spread to other parts of the body. Gene and epigenetic alterations disrupt normal cellular control, leading to abnormal cell prolifer...
Humans
Molecular Docking Simulation
Drug Design
Machine Learning
Neoplasms
Protein Kinase Inhibitors
Phosphoinositide-3 Kinase Inhibitors
Class Ib Phosphatidylinositol 3-Kinase
Phosphatidylinositol 3-Kinases
Molecular Dynamics Simulation
Ligands
Antineoplastic Agents
Protein Binding
Models, Molecular
A deep learning-based theoretical protocol to identify potentially isoform-selective PI3Kα inhibitors.
Molecular diversity
Feb 2, 2024
Phosphoinositide 3-kinase alpha (PI3Kα) is one of the most frequently dysregulated kinases known for their pivotal role in many oncogenic diseases. While the side effects linked to existing drugs against PI3Kα-induced cancers provide an avenue for fu...
Exploring a novel seven-gene marker and mitochondrial gene TMEM38A for predicting cervical cancer radiotherapy sensitivity using machine learning algorithms.
Frontiers in endocrinology
Jan 24, 2024
BACKGROUND: Radiotherapy plays a crucial role in the management of Cervical cancer (CC), as the development of resistance by cancer cells to radiotherapeutic interventions is a significant factor contributing to treatment failure in patients. However...
Identification of crucial genes related to heart failure based on GEO database.
BMC cardiovascular disorders
Jul 28, 2023
BACKGROUND: The molecular biological mechanisms underlying heart failure (HF) remain poorly understood. Therefore, it is imperative to use innovative approaches, such as high-throughput sequencing and artificial intelligence, to investigate the patho...
Exploring the Study of miR-1301 Inhibiting the Proliferation and Migration of Squamous Cell Carcinoma YD-38 Cells through PI3K/AKT Pathway under Deep Learning Medical Images.
Computational intelligence and neuroscience
Feb 10, 2022
With the rapid development and application of deep learning medical image recognition, natural language processing, and other fields, at the same time, deep learning has become the most popular research direction in the field of image processing and ...
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