AIMC Topic: Benzimidazoles

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Efficacy and safety of first-line CDK4/6 inhibitors plus AI therapy for patients with HR +/HER2- advanced breast cancer: a network meta-analysis.

BMC cancer May 8, 2025
BACKGROUND: CDK4/6 inhibitors plus aromatase inhibitors (AI) significantly improve the therapeutic effect of initial treatment for HR + /HER2- advanced breast cancer. However, there is a lack of head-to-head randomized controlled trials involving the...
Cyclin-Dependent Kinase 6 Humans Network Meta-Analysis as Topic Female Aminopyridines Breast Neoplasms Receptors, Estrogen Purines Receptors, Progesterone Antineoplastic Combined Chemotherapy Protocols Cyclin-Dependent Kinase 4 Treatment Outcome Randomized Controlled Trials as Topic Receptor, ErbB-2 Progression-Free Survival Aromatase Inhibitors Protein Kinase Inhibitors Benzimidazoles
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Deep learning-based design and screening of benzimidazole-pyrazine derivatives as adenosine A receptor antagonists.

Journal of biomolecular structure & dynamics Dec 22, 2023
The Adenosine A receptor (AAR) is considered a novel potential target for the immunotherapy of cancer, and AAR antagonists have an inhibitory effect on tumor growth, proliferation, and metastasis. In our previous studies, we identified a class of ben...
Humans Molecular Docking Simulation Drug Design Molecular Structure Deep Learning Molecular Dynamics Simulation Benzimidazoles Protein Binding Adenosine A2 Receptor Antagonists Pyrazines Receptor, Adenosine A2B Structure-Activity Relationship
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In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques.

Carbohydrate polymers Sep 29, 2021
Ternary cyclodextrin (CD) complexes (drug/CD/polymer) can effectively improve the solubility of water-insoluble drugs with large size than binary CD formulations. However, ternary formulations are screened by a trial-and-error approach, which is labo...
Benzimidazoles Hydrocortisone Quinolones Cyclodextrins Drug Compounding Machine Learning Models, Molecular Polymers
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Inter-laboratory automation of the in vitro micronucleus assay using imaging flow cytometry and deep learning.

Archives of toxicology Jul 10, 2021
The in vitro micronucleus assay is a globally significant method for DNA damage quantification used for regulatory compound safety testing in addition to inter-individual monitoring of environmental, lifestyle and occupational factors. However, it re...
Cell Line Humans Methyl Methanesulfonate Carbamates DNA Damage Automation, Laboratory Micronucleus Tests Flow Cytometry Deep Learning Benzimidazoles Mutagens Dose-Response Relationship, Drug Cytokinesis
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Trace Identification and Visualization of Multiple Benzimidazole Pesticide Residues on Leaves Using Terahertz Imaging Combined with Deep Learning.

International journal of molecular sciences Mar 26, 2021
Molecular spectroscopy has been widely used to identify pesticides. The main limitation of this approach is the difficulty of identifying pesticides with similar molecular structures. When these pesticide residues are in trace and mixed states in pla...
Fuzzy Logic Cluster Analysis Plant Leaves Density Functional Theory Neural Networks, Computer Reproducibility of Results Deep Learning Benzimidazoles Terahertz Imaging Thiabendazole Toona Pesticides Food Safety Carbamates Pesticide Residues
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Molecular docking and machine learning analysis of Abemaciclib in colon cancer.

BMC molecular and cell biology Jul 8, 2020
BACKGROUND: The main challenge in cancer research is the identification of different omic variables that present a prognostic value and personalised diagnosis for each tumour. The fact that the diagnosis is personalised opens the doors to the design ...
Aminopyridines Drug Repositioning Neoplasm Staging Colonic Neoplasms Survival Analysis Benzimidazoles Fatty Acid-Binding Proteins Humans Gastrointestinal Hormones Machine Learning Epistasis, Genetic Cell Line, Tumor Algorithms Gene Expression Regulation, Neoplastic Prognosis Adenocarcinoma Molecular Docking Simulation Databases, Protein Gene Expression Profiling
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A Machine Learning-Based QSAR Model for Benzimidazole Derivatives as Corrosion Inhibitors by Incorporating Comprehensive Feature Selection.

Interdisciplinary sciences, computational life sciences Sep 4, 2019
BACKGROUND: Computational prediction of inhibition efficiency (IE) for inhibitor molecules is a crucial supplementary way to design novel molecules that can efficiently inhibit corrosion onto metallic surfaces.
Machine Learning Linear Models Conservation of Natural Resources Quantitative Structure-Activity Relationship Static Electricity Corrosion Benzimidazoles Chemistry Support Vector Machine Cluster Analysis Algorithms Predictive Value of Tests Metals Hydrazines Imaging, Three-Dimensional Computational Biology
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Preparation of a chemiluminescence sensor for multi-detection of benzimidazoles in meat based on molecularly imprinted polymer.

Food chemistry Dec 19, 2018
In this study, a molecularly imprinted polymer capable of recognizing 8 benzimidazoles was first synthesized. The computation simulation showed that the shape and size of used template were the main factors influencing its recognition ability. Then t...
Benzimidazoles Luminescent Measurements Hydrogen Peroxide Mebendazole Luminol Food Contamination Polymers Food Analysis Molecular Imprinting Meat
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Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods.

Chemical research in toxicology Nov 8, 2018
The farnesoid X receptor (FXR) emerges as a promising drug target involved in regulating various metabolic pathways, yet some xenobiotic compounds binding to FXR would be an important determinant to induce the receptor dysfunctions that lead to undes...
Machine Learning Databases, Factual ROC Curve Area Under Curve Benzimidazoles Receptors, Cytoplasmic and Nuclear Xenobiotics Humans
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Gold Nanoparticle-Based Paper Sensor for Simultaneous Detection of 11 Benzimidazoles by One Monoclonal Antibody.

Small (Weinheim an der Bergstrasse, Germany) Dec 20, 2017
A colloidal gold immunochromatographic assay based on a generic monoclonal antibody is developed for the simultaneous detection of benzimidazoles and metabolite residues in milk samples. The monoclonal antibody is prepared using 2-(methoxycarbonylami...
Haptens Immunoassay Antibodies, Monoclonal Reproducibility of Results Gold Animals Paper Metal Nanoparticles Milk Limit of Detection Benzimidazoles
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