Mal-Light: Enhancing Lysine Malonylation Sites Prediction Problem Using Evolutionary-based Features.

Post Translational Modification (PTM) is considered an important biological process with a tremendous impact on the function of proteins in both eukaryotes, and prokaryotes cells. During the past decades, a wide range of PTMs has been identified. Among them, malonylation is a recently identified PTM which plays a vital role in a wide range of biological interactions. Notwithstanding, this modification plays a potential role in energy metabolism in different species including Homo Sapiens. The identification of PTM sites using experimental methods is time-consuming and costly. Hence, there is a demand for introducing fast and cost-effective computational methods. In this study, we propose a new machine learning method, called Mal-Light, to address this problem. To build this model, we extract local evolutionary-based information according to the interaction of neighboring amino acids using a bi-peptide based method. We then use Light Gradient Boosting (LightGBM) as our classifier to predict malonylation sites. Our results demonstrate that Mal-Light is able to significantly improve malonylation site prediction performance compared to previous studies found in the literature. Using Mal-Light we achieve Matthew's correlation coefficient (MCC) of 0.74 and 0.60, Accuracy of 86.66% and 79.51%, Sensitivity of 78.26% and 67.27%, and Specificity of 95.05% and 91.75%, for Homo Sapiens and Mus Musculus proteins, respectively. Mal-Light is implemented as an online predictor which is publicly available at: (http://brl.uiu.ac.bd/MalLight/).