AIMC Topic: Peptides

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AntiT2DMP-Pred: Leveraging feature fusion and optimization for superior machine learning prediction of type 2 diabetes mellitus.

Methods (San Diego, Calif.)
Pancreatic α-amylase breaks down starch into isomaltose and maltose, which are further hydrolyzed by α-glucosidase in the intestine into monosaccharides, rapidly raising blood sugar levels and contributing to type 2 diabetes mellitus (T2DM). Syntheti...

IL-6-Inducing Peptide Prediction Based on 3D Structure and Graph Neural Network.

Biomolecules
Interleukin-6 (IL-6) is a potent glycoprotein that plays a crucial role in regulating innate and adaptive immunity, as well as metabolism. The expression and release of IL-6 are closely correlated with the severity of various diseases. IL-6-inducing ...

High-Accuracy Identification and Structure-Activity Analysis of Antioxidant Peptides via Deep Learning and Quantum Chemistry.

Journal of chemical information and modeling
Antioxidant peptides (AOPs) hold great promise for mitigating oxidative-stress-related diseases, but their discovery is hindered by inefficient and time-consuming traditional methods. To address this, we developed an innovative framework combining ma...

Enhanced Sampling Simulations of RNA-Peptide Binding Using Deep Learning Collective Variables.

Journal of chemical information and modeling
Enhanced sampling (ES) simulations of biomolecular recognition, such as binding small molecules to proteins and nucleic acid targets, protein-protein association, and protein-nucleic acid interactions, have gained significant attention in the simulat...

Machine learning discovery of novel antihypertensive peptides from highland barley protein inhibiting angiotensin I-converting enzyme (ACE).

Food research international (Ottawa, Ont.)
Hypertension is a major global health concern, and there is a need for new antihypertensive agents derived from natural sources. This study aims to identify novel angiotensin I-converting enzyme (ACE) inhibitors from bioactive peptides derived from f...

pACP-HybDeep: predicting anticancer peptides using binary tree growth based transformer and structural feature encoding with deep-hybrid learning.

Scientific reports
Worldwide, Cancer remains a significant health concern due to its high mortality rates. Despite numerous traditional therapies and wet-laboratory methods for treating cancer-affected cells, these approaches often face limitations, including high cost...

π-PrimeNovo: an accurate and efficient non-autoregressive deep learning model for de novo peptide sequencing.

Nature communications
Peptide sequencing via tandem mass spectrometry (MS/MS) is essential in proteomics. Unlike traditional database searches, deep learning excels at de novo peptide sequencing, even for peptides missing from existing databases. Current deep learning mod...

NovoRank: Refinement for Peptide Sequencing Based on Spectral Clustering and Deep Learning.

Journal of proteome research
peptide sequencing is a valuable technique in mass-spectrometry-based proteomics, as it deduces peptide sequences directly from tandem mass spectra without relying on sequence databases. This database-independent method, however, relies solely on im...

In silico design of dehydrophenylalanine containing peptide activators of glucokinase using pharmacophore modelling, molecular dynamics and machine learning: implications in type 2 diabetes.

Journal of computer-aided molecular design
Diabetes represents a significant global health challenge associated with substantial healthcare costs and therapeutic complexities. Current diabetes therapies often entail adverse effects, necessitating the exploration of novel agents. Glucokinase (...

AVP-GPT2: A Transformer-Powered Platform for De Novo Generation, Screening, and Explanation of Antiviral Peptides.

Viruses
Human respiratory syncytial virus (RSV) remains a significant global health threat, particularly for vulnerable populations. Despite extensive research, effective antiviral therapies are still limited. To address this urgent need, we present AVP-GPT2...