Repurposing drugs for the treatment of COVID-19 and its cardiovascular manifestations

RS Wang, J Loscalzo - Circulation research, 2023 - Am Heart Assoc
COVID-19 is an infectious disease caused by SARS-CoV-2 leading to the ongoing global
pandemic. Infected patients developed a range of respiratory symptoms, including …

A stapled lipopeptide platform for preventing and treating highly pathogenic viruses of pandemic potential

GH Bird, JJ Patten, W Zavadoski, N Barucci… - Nature …, 2024 - nature.com
The continued emergence of highly pathogenic viruses, which either thwart immune-and
small molecule-based therapies or lack interventions entirely, mandates alternative …

Network modeling helps to tackle the complexity of drug–disease systems

M Recanatini, L Menestrina - WIREs Mechanisms of Disease, 2023 - Wiley Online Library
From the (patho) physiological point of view, diseases can be considered as emergent
properties of living systems stemming from the complexity of these systems. Complex …

Improving the generalizability of protein-ligand binding predictions with AI-Bind

A Chatterjee, R Walters, Z Shafi, OS Ahmed… - Nature …, 2023 - nature.com
Identifying novel drug-target interactions is a critical and rate-limiting step in drug discovery.
While deep learning models have been proposed to accelerate the identification process …

[HTML][HTML] Development of a robust and convenient dual-reporter high-throughput screening assay for SARS-CoV-2 antiviral drug discovery

W Chiu, J Schepers, T Francken, L Vangeel, K Abbasi… - Antiviral research, 2023 - Elsevier
Massive efforts on both vaccine development and antiviral research were launched to
combat the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). We …

Identifying SARS-CoV-2 drugs binding to the spike fatty acid binding pocket using in silico docking and molecular dynamics

S Piplani, P Singh, N Petrovsky, DA Winkler - International Journal of …, 2023 - mdpi.com
Drugs against novel targets are needed to treat COVID-19 patients, especially as SARS-
CoV-2 is capable of rapid mutation. Structure-based de novo drug design and repurposing …

Machine learning–based integration of network features and chemical structure of compounds for SARS‐CoV‐2 drug effect analysis

J Späth, RS Wang, M Humphrey… - CPT …, 2024 - Wiley Online Library
High drug development costs and the limited number of new annual drug approvals
increase the need for innovative approaches for drug effect prediction. Severe acute …

The human E3 ligase RNF185 is a regulator of the SARS-CoV-2 envelope protein

C Zou, H Yoon, PMC Park, JJ Patten, J Pellman… - Iscience, 2023 - cell.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) hijacks multiple human
proteins during infection and viral replication. To examine whether any viral proteins employ …

Uncovering common pathobiological processes between COVID‐19 and pulmonary arterial hypertension by integrating Omics data

RS Wang, J Loscalzo - Pulmonary Circulation, 2023 - Wiley Online Library
Abstract Coronavirus disease 2019 (COVID‐19) is an infectious disease caused by severe
acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2), which led to the current …

Multi-Omics and Single-Cell Omics: New Tools in Drug Target Discovery

J Loscalzo - Arteriosclerosis, Thrombosis, and Vascular Biology, 2024 - Am Heart Assoc
We and others have approached this problem through the lens of molecular interaction
networks (Figure 1). Molecular networks (eg, protein-protein interaction networks, metabolic …