AIMC Topic: Enzyme Activation

Clear Filters Showing 1 to 7 of 7 articles

Navigating the landscape of enzyme design: from molecular simulations to machine learning.

Chemical Society reviews Aug 12, 2024
Global environmental issues and sustainable development call for new technologies for fine chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the alternative to the traditional organic synthesis. However, it is c...
Machine Learning Protein Engineering Animals Enzymes Biocatalysis Enzyme Activation Protein Conformation Substrate Specificity Molecular Dynamics Simulation Humans
View on PubMed DOI

Using Steady-State Kinetics to Quantitate Substrate Selectivity and Specificity: A Case Study with Two Human Transaminases.

Molecules (Basel, Switzerland) Feb 18, 2022
We examined the ability of two human cytosolic transaminases, aspartate aminotransferase (GOT1) and alanine aminotransferase (GPT), to transform their preferred substrates whilst discriminating against similar metabolites. This offers an opportunity ...
Substrate Specificity Transferases (Other Substituted Phosphate Groups) Alkyl and Aryl Transferases Transaminases Enzyme Activation Humans Kinetics Structure-Activity Relationship Animals Binding Sites Protein Conformation Models, Molecular Cattle Amino Acids
View on PubMed DOI

Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1.

Molecules (Basel, Switzerland) Jul 29, 2019
The human carboxylesterase 1 (CES1), responsible for the biotransformation of many diverse therapeutic agents, may contribute to the occurrence of adverse drug reactions and therapeutic failure through drug interactions. The present study is designed...
Enzyme Activation Protease Inhibitors Carboxylic Ester Hydrolases Quantitative Structure-Activity Relationship Small Molecule Libraries Reproducibility of Results Molecular Docking Simulation ROC Curve Molecular Dynamics Simulation Drug Discovery Humans Machine Learning
View on PubMed DOI

Mechanism of glucocerebrosidase activation and dysfunction in Gaucher disease unraveled by molecular dynamics and deep learning.

Proceedings of the National Academy of Sciences of the United States of America Feb 26, 2019
The lysosomal enzyme glucocerebrosidase-1 (GCase) catalyzes the cleavage of a major glycolipid glucosylceramide into glucose and ceramide. The absence of fully functional GCase leads to the accumulation of its lipid substrates in lysosomes, causing G...
Glucosylceramidase Saposins Catalytic Domain Humans Hydrogen Bonding Deep Learning Protein Structure, Secondary Gaucher Disease Enzyme Activation Protein Interaction Maps Mutant Proteins Molecular Dynamics Simulation
View on PubMed DOI

The effects of Ficus carica on the activity of enzymes related to metabolic syndrome.

Journal of food and drug analysis Apr 22, 2017
The present study aimed to investigate the effects of the various parts of Ficus carica L. (figs) on antioxidant, antidiabetic, and antiobesogenic effects in vitro. Fruit, leaves, and stembark of the F. carica plant were sequentially extracted using ...
Enzyme Activation Phytochemicals Metabolic Syndrome Molecular Structure alpha-Glucosidases Humans Enzyme Inhibitors Ficus Polyphenols alpha-Amylases Plant Extracts Gas Chromatography-Mass Spectrometry
View on PubMed DOI

Validation of machine learning-assisted screening of PKC ligands: PKC binding affinity and activation.

Bioscience, biotechnology, and biochemistry Apr 22, 2025
Protein kinase C (PKC) is a family of serine/threonine kinases, and PKC ligands have the potential to be therapeutic seeds for cancer, Alzheimer's disease, and human immunodeficiency virus infection. However, in addition to desired therapeutic effect...
Humans Ligands Machine Learning Enzyme Activation Protein Binding Protein Kinase C
View on PubMed DOI

Computational studies of anaplastic lymphoma kinase mutations reveal common mechanisms of oncogenic activation.

Proceedings of the National Academy of Sciences of the United States of America Mar 9, 2021
Kinases play important roles in diverse cellular processes, including signaling, differentiation, proliferation, and metabolism. They are frequently mutated in cancer and are the targets of a large number of specific inhibitors. Surveys of cancer gen...
Machine Learning Mutation Molecular Dynamics Simulation Humans Anaplastic Lymphoma Kinase Enzyme Activation Protein Conformation, alpha-Helical
View on PubMed DOI
Popular Topics
Recent Journals