Integrated convolution and self-attention for improving peptide toxicity prediction.

MOTIVATION: Peptides are promising agents for the treatment of a variety of diseases due to their specificity and efficacy. However, the development of peptide-based drugs is often hindered by the potential toxicity of peptides, which poses a significant barrier to their clinical application. Traditional experimental methods for evaluating peptide toxicity are time-consuming and costly, making the development process inefficient. Therefore, there is an urgent need for computational tools specifically designed to predict peptide toxicity accurately and rapidly, facilitating the identification of safe peptide candidates for drug development. RESULTS: We provide here a novel computational approach, CAPTP, which leverages the power of convolutional and self-attention to enhance the prediction of peptide toxicity from amino acid sequences. CAPTP demonstrates outstanding performance, achieving a Matthews correlation coefficient of approximately 0.82 in both cross-validation settings and on independent test datasets. This performance surpasses that of existing state-of-the-art peptide toxicity predictors. Importantly, CAPTP maintains its robustness and generalizability even when dealing with data imbalances. Further analysis by CAPTP reveals that certain sequential patterns, particularly in the head and central regions of peptides, are crucial in determining their toxicity. This insight can significantly inform and guide the design of safer peptide drugs. AVAILABILITY AND IMPLEMENTATION: The source code for CAPTP is freely available at https://github.com/jiaoshihu/CAPTP.

The Characterization of Structure and Prediction for Aquaporin in Tumour Progression by Machine Learning.

Recurrence and new cases of cancer constitute a challenging human health problem. Aquaporins (AQPs) can be expressed in many types of tumours, including the brain, breast, pancreas, colon, skin, ovaries, and lungs, and the histological grade of cancer is positively correlated with AQP expression. Therefore, the identification of aquaporins is an area to explore. Computational tools play an important role in aquaporin identification. In this research, we propose reliable, accurate and automated sequence predictor iAQPs-RF to identify AQPs. In this study, the feature extraction method was 188D (global protein sequence descriptor, GPSD). Six common classifiers, including random forest (RF), NaiveBayes (NB), support vector machine (SVM), XGBoost, logistic regression (LR) and decision tree (DT), were used for AQP classification. The classification results show that the random forest (RF) algorithm is the most suitable machine learning algorithm, and the accuracy was 97.689%. Analysis of Variance (ANOVA) was used to analyse these characteristics. Feature rank based on the ANOVA method and IFS strategy was applied to search for the optimal features. The classification results suggest that the 26th feature (neutral/hydrophobic) and 21st feature (hydrophobic) are the two most powerful and informative features that distinguish AQPs from non-AQPs. Previous studies reported that plasma membrane proteins have hydrophobic characteristics. Aquaporin subcellular localization prediction showed that all aquaporins were plasma membrane proteins with highly conserved transmembrane structures. In addition, the 3D structure of aquaporins was consistent with the localization results. Therefore, these studies confirmed that aquaporins possess hydrophobic properties. Although aquaporins are highly conserved transmembrane structures, the phylogenetic tree shows the diversity of aquaporins during evolution. The PCA showed that positive and negative samples were well separated by 54D features, indicating that the 54D feature can effectively classify aquaporins. The online prediction server is accessible at http://lab.malab.cn/∼acy/iAQP.

iTTCA-RF: a random forest predictor for tumor T cell antigens.

BACKGROUND: Cancer is one of the most serious diseases threatening human health. Cancer immunotherapy represents the most promising treatment strategy due to its high efficacy and selectivity and lower side effects compared with traditional treatment. The identification of tumor T cell antigens is one of the most important tasks for antitumor vaccines development and molecular function investigation. Although several machine learning predictors have been developed to identify tumor T cell antigen, more accurate tumor T cell antigen identification by existing methodology is still challenging. METHODS: In this study, we used a non-redundant dataset of 592 tumor T cell antigens (positive samples) and 393 tumor T cell antigens (negative samples). Four types feature encoding methods have been studied to build an efficient predictor, including amino acid composition, global protein sequence descriptors and grouped amino acid and peptide composition. To improve the feature representation ability of the hybrid features, we further employed a two-step feature selection technique to search for the optimal feature subset. The final prediction model was constructed using random forest algorithm. RESULTS: Finally, the top 263 informative features were selected to train the random forest classifier for detecting tumor T cell antigen peptides. iTTCA-RF provides satisfactory performance, with balanced accuracy, specificity and sensitivity values of 83.71%, 78.73% and 88.69% over tenfold cross-validation as well as 73.14%, 62.67% and 83.61% over independent tests, respectively. The online prediction server was freely accessible at http://lab.malab.cn/~acy/iTTCA . CONCLUSIONS: We have proven that the proposed predictor iTTCA-RF is superior to the other latest models, and will hopefully become an effective and useful tool for identifying tumor T cell antigens presented in the context of major histocompatibility complex class I.

Advances in the Identification of Circular RNAs and Research Into circRNAs in Human Diseases.

Circular RNAs (circRNAs) are a class of endogenous non-coding RNAs (ncRNAs) with a closed-loop structure that are mainly produced by variable processing of precursor mRNAs (pre-mRNAs). They are widely present in all eukaryotes and are very stable. Currently, circRNA studies have become a hotspot in RNA research. It has been reported that circRNAs constitute a significant proportion of transcript expression, and some are significantly more abundantly expressed than other transcripts. CircRNAs have regulatory roles in gene expression and critical biological functions in the development of organisms, such as acting as microRNA sponges or as endogenous RNAs and biomarkers. As such, they may have useful functions in the diagnosis and treatment of diseases. CircRNAs have been found to play an important role in the development of several diseases, including atherosclerosis, neurological disorders, diabetes, and cancer. In this paper, we review the status of circRNA research, describe circRNA-related databases and the identification of circRNAs, discuss the role of circRNAs in human diseases such as colon cancer, atherosclerosis, and gastric cancer, and identify remaining research questions related to circRNAs.