Computers in biology and medicine
-
The repurposing of FDA approved drugs is presently receiving attention for COVID-19 drug discovery. Previous studies revealed the binding potential of several FDA-approved drugs towards specific targets of SARS-CoV-2; however, limited studies are focused on the structural and molecular basis of interaction of these drugs towards multiple targets of SARS-CoV-2. The present study aimed to predict the binding potential of six FDA drugs towards fifteen protein targets of SARS-CoV-2 and propose the structural and molecular basis of the interaction by molecular docking and dynamic simulation. ⋯ Among the selected drugs, Ritonavir and Lopinavir showed better binding towards the prioritized targets with minimum binding energy (kcal/mol), cluster-RMS, number of interacting residues, and stabilizing forces when compared with the binding of Chloroquine, Favipiravir, and Hydroxychloroquine, later drugs demonstrated better binding when compared to the binding with their usual targets. Remdesvir showed better binding to the prioritized targets in comparison with the binding of Chloroquine, Favipiravir, and Hydroxychloroquine, but showed lesser binding potential when compared to the interaction between Ritonavir and Lopinavir and the prioritized targets. The structural and molecular basis of interactions suggest that the FDA drugs can be repurposed towards multiple targets of SARS-CoV-2, and the present computational models provide insights on the scope of repurposed drugs against COVID-19.
-
Deep learning has emerged as a leading machine learning tool in object detection and has attracted attention with its achievements in progressing medical image analysis. Convolutional Neural Networks (CNNs) are the most preferred method of deep learning algorithms for this purpose and they have an essential role in the detection and potential early diagnosis of colon cancer. In this article, we hope to bring a perspective to progress in this area by reviewing deep learning practices for colon cancer analysis. ⋯ We conclude our work with a summary of recent deep learning practices for colon cancer analysis, a critical discussion of the challenges faced, and suggestions for future research. This study differs from other studies by including 135 recent academic papers, separating colon cancer into five different classes, and providing a comprehensive structure. We hope that this study is beneficial to researchers interested in using deep learning techniques for the diagnosis of colon cancer.
-
To develop and evaluate a three-dimensional (3D) generative model of computed tomography (CT) images of lung nodules using a generative adversarial network (GAN). To guide the GAN, lung nodule size was used. ⋯ Our results show that it was possible to generate 3D CT images of lung nodules that could be used to construct a classification model of lung nodule size without true CT images.