AIMC Topic: Phosphatidylinositol 3-Kinases
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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...
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...
Class Ib Phosphatidylinositol 3-Kinase
Molecular Docking Simulation
Drug Design
Antineoplastic Agents
Protein Binding
Models, Molecular
Phosphatidylinositol 3-Kinases
Molecular Dynamics Simulation
Humans
Machine Learning
Neoplasms
Ligands
Protein Kinase Inhibitors
Phosphoinositide-3 Kinase Inhibitors
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 ...
A risk prediction model of gene signatures in ovarian cancer through bagging of GA-XGBoost models.
Journal of advanced research
Nov 11, 2020
INTRODUCTION: Ovarian cancer (OC) is one of the most frequent gynecologic cancers among women, and high-accuracy risk prediction techniques are essential to effectively select the best intervention strategies and clinical management for OC patients a...
A comparison of machine learning classifiers for dementia with Lewy bodies using miRNA expression data.
BMC medical genomics
Oct 30, 2019
BACKGROUND: Dementia with Lewy bodies (DLB) is the second most common subtype of neurodegenerative dementia in humans following Alzheimer's disease (AD). Present clinical diagnosis of DLB has high specificity and low sensitivity and finding potential...
Novel Screening Method Identifies PI3Kα, mTOR, and IGF1R as Key Kinases Regulating Cardiomyocyte Survival.
Journal of the American Heart Association
Oct 16, 2019
Background Small molecule kinase inhibitors (KIs) are a class of agents currently used for treatment of various cancers. Unfortunately, treatment of cancer patients with some of the KIs is associated with cardiotoxicity, and there is an unmet need fo...
Assessment of Functional Phosphatidylinositol 3-Kinase Pathway Activity in Cancer Tissue Using Forkhead Box-O Target Gene Expression in a Knowledge-Based Computational Model.
The American journal of pathology
Jul 6, 2018
The phosphatidylinositol 3-kinase (PI3K) pathway is commonly activated in cancer. Tumors are potentially sensitive to PI3K pathway inhibitors, but reliable diagnostic tests that assess functional PI3K activity are lacking. Because PI3K pathway activi...
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