AIMC Topic: Poly (ADP-Ribose) Polymerase-1

Clear Filters Showing 1 to 7 of 7 articles

Comprehensive machine learning analysis of PANoptosis signatures in multiple myeloma identifies prognostic and immunotherapy biomarkers.

Scientific reports Jul 2, 2025
PANoptosis is closely associated with tumorigenesis and therapeutic response, yet its role in multiple myeloma (MM) remains unclear. This study analyzed bulk transcriptomic and clinical data from the TCGA and GEO databases to identify seven PANoptosi...
Male Gene Expression Profiling Female Biomarkers, Tumor Gene Expression Regulation, Neoplastic Multiple Myeloma Poly (ADP-Ribose) Polymerase-1 Transcriptome Immunotherapy Humans Machine Learning Prognosis
View on PubMed DOI

Integrating machine learning driven virtual screening and molecular dynamics simulations to identify potential inhibitors targeting PARP1 against prostate cancer.

Scientific reports Apr 14, 2025
Prostate cancer (PC) is one of the most common types of malignancies in men, with a noteworthy increase in newly diagnosed cases in recent years. PARP1 is a ubiquitous nuclear enzyme involved in DNA repair, nuclear transport, ribosome synthesis, and ...
Male Molecular Docking Simulation Humans Machine Learning Poly(ADP-ribose) Polymerase Inhibitors Molecular Dynamics Simulation Poly (ADP-Ribose) Polymerase-1 Phytochemicals Prostatic Neoplasms
View on PubMed DOI

ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning.

Nature communications Nov 22, 2024
Despite the significant potential of generative models, low synthesizability of many generated molecules limits their real-world applications. In response to this issue, we develop ClickGen, a deep learning model that utilizes modular reactions like ...
Poly(ADP-ribose) Polymerase Inhibitors Click Chemistry Cell Proliferation Poly (ADP-Ribose) Polymerase-1 Molecular Docking Simulation Antineoplastic Agents Deep Learning Cell Line, Tumor Humans
View on PubMed DOI

Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysis.

Molecular diversity Feb 20, 2024
The poly (ADP-ribose) polymerase-1 (PARP-1) enzyme is an important target in the treatment of breast cancer. Currently, treatment options include the drugs Olaparib, Niraparib, Rucaparib, and Talazoparib; however, these drugs can cause severe side ef...
Poly(ADP-ribose) Polymerase Inhibitors Phthalazines Poly (ADP-Ribose) Polymerase-1 Humans Models, Molecular Algorithms Machine Learning Quantitative Structure-Activity Relationship
View on PubMed DOI

Discovery of novel PARP-1 inhibitors using tandem studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach.

Journal of biomolecular structure & dynamics May 22, 2023
Cancer accounts for the majority of deaths worldwide, and the increasing incidence of breast cancer is a matter of grave concern. Poly (ADP-ribose) polymerase-1 (PARP-1) has emerged as an attractive target for the treatment of breast cancer as it has...
Molecular Docking Simulation Deep Learning Protein Binding Molecular Dynamics Simulation Female Humans Poly(ADP-ribose) Polymerase Inhibitors Breast Neoplasms Artificial Intelligence Ligands Pharmacophore Poly (ADP-Ribose) Polymerase-1
View on PubMed DOI

Integrated support vector machine and pharmacophore based virtual screening driven identification of thiophene carboxamide scaffold containing compound as potential PARP1 inhibitor.

Journal of biomolecular structure & dynamics May 5, 2021
Poly (ADP-ribose) polymerase-1 (PARP1) inhibition strategy for cancer treatment is gaining advantage particularly in patients having a mutation in BRCA1/BRCA2 gene. To date, four drugs have obtained FDA approval and some inhibitors are in clinical tr...
Support Vector Machine Molecular Dynamics Simulation Humans Molecular Docking Simulation Ligands Quantitative Structure-Activity Relationship Poly (ADP-Ribose) Polymerase-1 Thiophenes
View on PubMed DOI

[The Protective Effect of Inhibition of PARP-1 on Inflammation Induced by PM2.5 in Human Bronchial Epithelial Cell Line.].

Sichuan da xue xue bao. Yi xue ban = Journal of Sichuan University. Medical science edition Nov 1, 2016
OBJECTIVES: To explore whether the inhibition of poly ADP-ribose polymerase-1(PARP-1) could attenuated inflammation induced by fine particulate matter (PM2.5) in human bronchial epithelial cell line.
Particulate Matter Inflammation Nitric Oxide Synthase Type II Epithelial Cells Transcription Factor RelA Humans Poly (ADP-Ribose) Polymerase-1 Nitric Oxide
View on PubMed
Popular Topics
Recent Journals