SEMal: Accurate protein malonylation site predictor using structural and evolutionary information.

Post Transactional Modification (PTM) is a vital process which plays an important role in a wide range of biological interactions. One of the most recently identified PTMs is Malonylation. It has been shown that Malonylation has an important impact on different biological pathways including glucose and fatty acid metabolism. Malonylation can be detected experimentally using mass spectrometry. However, this process is both costly and time-consuming which has inspired research to find more efficient and fast computational methods to solve this problem. This paper proposes a novel approach, called SEMal, to identify Malonylation sites in protein sequences. It uses both structural and evolutionary-based features to solve this problem. It also uses Rotation Forest (RoF) as its classification technique to predict Malonylation sites. To the best of our knowledge, our extracted features as well as our employed classifier have never been used for this problem. Compared to the previously proposed methods, SEMal outperforms them in all metrics such as sensitivity (0.94 and 0.89), accuracy (0.94 and 0.91), and Matthews correlation coefficient (0.88 and 0.82), for Homo Sapiens and Mus Musculus species, respectively. SEMal is publicly available as an online predictor at: http://brl.uiu.ac.bd/SEMal/.

Accurately Predicting Glutarylation Sites Using Sequential Bi-Peptide-Based Evolutionary Features.

Post Translational Modification (PTM) is defined as the alteration of protein sequence upon interaction with different macromolecules after the translation process. Glutarylation is considered one of the most important PTMs, which is associated with a wide range of cellular functioning, including metabolism, translation, and specified separate subcellular localizations. During the past few years, a wide range of computational approaches has been proposed to predict Glutarylation sites. However, despite all the efforts that have been made so far, the prediction performance of the Glutarylation sites has remained limited. One of the main challenges to tackle this problem is to extract features with significant discriminatory information. To address this issue, we propose a new machine learning method called BiPepGlut using the concept of a bi-peptide-based evolutionary method for feature extraction. To build this model, we also use the Extra-Trees (ET) classifier for the classification purpose, which, to the best of our knowledge, has never been used for this task. Our results demonstrate BiPepGlut is able to significantly outperform previously proposed models to tackle this problem. BiPepGlut achieves 92.0%, 84.8%, 95.6%, 0.82, and 0.88 in accuracy, sensitivity, specificity, Matthew's Correlation Coefficient, and F1-score, respectively. BiPepGlut is implemented as a publicly available online predictor.