AIMC Topic: Peptides

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Virtual-screening of xanthine oxidase inhibitory peptides: Inhibition mechanisms and prediction of activity using machine-learning.

Food chemistry Aug 3, 2024
Xanthine oxidase (XO) inhibitory peptides can prevent XO-mediated hyperuricemia. Currently, QSAR about XO inhibitory peptides with different lengths remains to be enriched. Here, XO inhibitory peptides were obtained from porcine visceral proteins thr...
Machine Learning Animals Peptides Quantitative Structure-Activity Relationship Binding Sites Xanthine Oxidase Swine Enzyme Inhibitors Molecular Docking Simulation
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Prediction of leukemia peptides using convolutional neural network and protein compositions.

BMC cancer Jul 26, 2024
Leukemia is a type of blood cell cancer that is in the bone marrow's blood-forming cells. Two types of Leukemia are acute and chronic; acute enhances fast and chronic growth gradually which are further classified into lymphocytic and myeloid leukemia...
Peptides ROC Curve Leukemia Humans Neural Networks, Computer
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PLMACPred prediction of anticancer peptides based on protein language model and wavelet denoising transformation.

Scientific reports Jul 23, 2024
Anticancer peptides (ACPs) perform a promising role in discovering anti-cancer drugs. The growing research on ACPs as therapeutic agent is increasing due to its minimal side effects. However, identifying novel ACPs using wet-lab experiments are gener...
Wavelet Analysis Computational Biology Databases, Protein Humans Machine Learning Peptides Antineoplastic Agents Algorithms
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Insights into the Interaction Mechanisms of Peptide and Non-Peptide Inhibitors with MDM2 Using Gaussian-Accelerated Molecular Dynamics Simulations and Deep Learning.

Molecules (Basel, Switzerland) Jul 18, 2024
Inhibiting MDM2-p53 interaction is considered an efficient mode of cancer treatment. In our current study, Gaussian-accelerated molecular dynamics (GaMD), deep learning (DL), and binding free energy calculations were combined together to probe the bi...
Hydrogen Bonding Binding Sites Deep Learning Proto-Oncogene Proteins c-mdm2 Peptides Protein Binding Protein Structure, Tertiary Protein Structure, Secondary Molecular Dynamics Simulation
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Smell cancer by machine learning-assisted peptide/MXene bioelectronic array.

Biosensors & bioelectronics Jul 10, 2024
Non-invasive detection of tumors is of utmost importance to save lives. Nonetheless, identifying tumors through gas analysis is a challenging task. In this work, biosensors with remarkable gas-sensing characteristics were developed using a self-assem...
Humans Machine Learning Biosensing Techniques Odorants Breath Tests Neoplasms Peptides
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Machine-Learning-Guided Peptide Drug Discovery: Development of GLP-1 Receptor Agonists with Improved Drug Properties.

Journal of medicinal chemistry Jul 8, 2024
Peptide-based drug discovery has surged with the development of peptide hormone-derived analogs for the treatment of diabetes and obesity. Machine learning (ML)-enabled quantitative structure-activity relationship (QSAR) approaches have shown great p...
Mice, Obese Glucagon-Like Peptide-1 Receptor Agonists Drug Discovery Humans Animals Male Mice Machine Learning Peptides Obesity Mice, Inbred C57BL Quantitative Structure-Activity Relationship
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VmmScore: An umami peptide prediction and receptor matching program based on a deep learning approach.

Computers in biology and medicine Jun 29, 2024
Peptides, with recognized physiological and medical implications, such as the ability to lower blood pressure and lipid levels, are central to our research on umami taste perception. This study introduces a computational strategy to tackle the challe...
Peptides Humans Molecular Docking Simulation Taste Perception Software Algorithms Receptors, G-Protein-Coupled Deep Learning Animals Taste
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Machine learning methods for unveiling the potential of antioxidant short peptides in goat milk-derived proteins during in vitro gastrointestinal digestion.

Journal of dairy science Jun 28, 2024
Milk serves as an important dietary source of bioactive peptides, offering notable benefits to individuals. Among the antioxidant short peptides (di- and tripeptides) generated from gastrointestinal digestion are characterized by enhanced bioavailabi...
Milk Peptides Milk Proteins Machine Learning Digestion Antioxidants Animals Goats
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TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides.

Journal of chemical information and modeling Jun 26, 2024
The intricate interaction between major histocompatibility complexes (MHCs) and antigen peptides with diverse amino acid sequences plays a pivotal role in immune responses and T cell activity. In recent years, deep learning (DL)-based models have eme...
Protein Conformation Models, Molecular Amino Acid Sequence HLA-A2 Antigen Deep Learning Protein Binding Humans Peptides
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An active machine learning discovery platform for membrane-disrupting and pore-forming peptides.

Physical chemistry chemical physics : PCCP Jun 26, 2024
Membrane-disrupting and pore-forming peptides (PFPs) play a substantial role in bionanotechnology and can determine the life and death of cells. The control of chemical and ion transport through cell membranes is essential to maintaining concentratio...
Machine Learning Cell Membrane Lipid Bilayers Peptides Pore Forming Cytotoxic Proteins
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