Contemporary Approaches to the Discovery and Development of Broad-Spectrum Natural Product Prototypes for the Control of Coronaviruses.

The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches involving computational chemistry, natural product (NP) and protein databases, and mass spectrometry (MS) derived target-ligand interaction analysis can be utilized to expedite the interrogation of NP structures while minimizing the time and expense of extraction, purification, and screening in BioSafety Laboratories (BSL)3 laboratories. The unparalleled structural diversity and complexity of NPs is an extraordinary resource for the discovery and development of broad-spectrum inhibitors of viral genera, including Betacoronavirus, which contains MERS, SARS, SARS-CoV-2, and the common cold. There are two key technological advances that have created unique opportunities for the identification of NP prototypes with greater efficiency: (1) the application of structural databases for NPs and target proteins and (2) the application of modern MS techniques to assess protein-ligand interactions directly from NP extracts. These approaches, developed over years, now allow for the identification and isolation of unique antiviral ligands without the immediate need for BSL3 facilities. Overall, the goal is to improve the success rate of NP-based screening by focusing resources on source materials with a higher likelihood of success, while simultaneously providing opportunities for the discovery of novel ligands to selectively target proteins involved in viral infection.

Severity Assessment of COVID-19 Using a CT-Based Radiomics Model.

The coronavirus disease of 2019 (COVID-19) has evolved into a worldwide pandemic. Although CT is sensitive in detecting lesions and assessing their severity, these works mainly depend on radiologists' subjective judgment, which is inefficient in case of a large-scale outbreak. This work focuses on developing a CT-based radiomics model to assess whether COVID-19 patients are in the early, progressive, severe, or absorption stages of the disease. We retrospectively analyzed the CT images of 284 COVID-19 patients. All of the patients were divided into four groups (0-3): early (n = 75), progressive (n = 58), severe (n = 75), and absorption (n = 76) groups, according to the progression of the disease and the CT features. Meanwhile, they were split randomly to training and test datasets with the fixed ratio of 7 : 3 in each category. Thirty-eight radiomic features were nominated from 1688 radiomic features after using select K-best method and the ElasticNet algorithm. On this basis, a support vector machine (SVM) classifier was trained to build this model. Receiver operating characteristic (ROC) curves were generated to determine the diagnostic performance of various models. The precision, recall, and f 1-score of the classification model of macro- and microaverage were 0.82, 0.82, 0.81, 0.81, 0.81, and 0.81 for the training dataset and 0.75, 0.73, 0.73, 0.72, 0.72, and 0.72 for the test dataset. The AUCs for groups 0, 1, 2, and 3 on the training dataset were 0.99, 0.97, 0.96, and 0.93, and the microaverage AUC was 0.97 with a macroaverage AUC of 0.97. On the test dataset, AUCs for each group were 0.97, 0.86, 0.83, and 0.89 and the microaverage AUC was 0.89 with a macroaverage AUC of 0.90. The CT-based radiomics model proved efficacious in assessing the severity of COVID-19.