Tools- Drug-Design/ Molecular-interaction

Last updated: 2021 Jun 28
Total row(s): 06
Sub-Categories/Data type
VirHostNet is based on the Cytoscape web library and provides systems-level analysis and visualization of Virus / Host protein-protein interactions Network based on graph theory. It is a highly efficient tool to reconstruct and explore protein interaction networks.
Virus/host Protein-Protein interaction, Proteomics
Thibaut Guirimand, Stephane Delmotte, Vincent Navratil
VirHostNet 2.0: surfing on the web of virus/host molecular interactions data
The Curated CORona Drug InTERactions (CORDITE) is a curated database containing drugs and interactions and potential drug information for SARS-CoV-2. CORDITE automatically incorporates data from PubMed, bioRxiv, chemRxiv, and medRxiv that report information on computational, in vitro, or case studies on potential drugs for COVID-19. The web interface allows users to access, sort, and download data to conduct meta-analyses.
Drug-interaction database, Treatment, proteomics, design new clinical trials
Roman Martin, Hannah F. Lo chel, Marius Welzel, Georges Hattab, Anne-Christin Hauschild, Dominik Heider
CORDITE: The Curated CORona Drug InTERactions Database for SARS-CoV-2
CoVex is an interactive web resource for SARS-CoV-2 host interactome and drug target identification. CoVex integrates virus-human protein interactions, human protein-protein interactions, and drug-target interactions. Thus, it allows visual exploration of the virus-host interactome and implements systems medicine algorithms for network-based prediction of drug candidates.
Virus-host protein interactions, Protein-Protein interaction, Drug-Protein interactions, Putative drug target identification, Proteomics
Sadegh, Sepideh and Matschinske, Julian and Blumenthal, David B. and Galindez, Gihanna and Kacprowski, Tim and List, Markus and Nasirigerdeh, Reza and Oubounyt, Mhaned and Pichlmair, Andreas and Rose, Tim Daniel and Salgado-Albarrán, Marisol and Späth, Julian and Stukalov, Alexey and Wenke, Nina K. and Yuan, Kevin and Pauling, Josch K. and Baumbach, Jan
Exploring the SARS-CoV-2 virus-host-drug interactome for drug repurposing
Pathogen-Host Interactome Prediction using STructurE similaRity (P-HIPSTer) uses sequence- and structure-based information to provide interactions between pathogen and human proteins. P-HIPSTer builds all-atom interaction models for PPI predictions and integrates sequence- and structure-based functional annotations for viral proteins at multiple levels, including host biological pathways based on the predicted PPIs.
Virus-host protein interactions, Protein-protein interaction, Treatment, Prediction, Functional annotations
Gorka Lasso, Sandra V. Mayer, Evandro R. Winkelmann, Tim Chu, Oliver Elliott, Juan Angel Patino-Galindo, Kernyu Park, Raul Rabadan, Barry Honig, Sagi D. Shapira.
A Structure-Informed Atlas of Human-Virus Interactions
COVID-19 Disease Map
The COVID-19 Disease Map provides SARS-CoV-2 virus-host interaction mechanisms, guided by input from domain experts and based on published work.
Host-pathogen interactions, Pathways involved, Associated disease, Knowledge and data integration
Marek Ostaszewski, Alexander Mazein, Marc E. Gillespie, Inna Kuperstein, Anna Niarakis, Henning Hermjakob, Alexander R. Pico, Egon L. Willighagen, Chris T. Evelo, Jan Hasenauer, Falk Schreiber, Andreas Dräger, Emek Demir, Olaf Wolkenhauer, Laura I. Furlong, Emmanuel Barillot, Joaquin Dopazo, Aurelio Orta-Resendiz, Francesco Messina, Alfonso Valencia, Akira Funahashi, Hiroaki Kitano, Charles Auffray, Rudi Balling & Reinhard Schneider
COVID-19 Disease Map, building a computational repository of SARS-CoV-2 virus-host interaction mechanisms.
REDIAL-2020 is a web portal for estimating Anti-SARS-CoV-2 activities. The web application provides similarity search results that display the most similar molecules to the query, as well as associated experimental data.
Drug repurposing
Govinda B. KC, Giovanni Bocci, Srijan Verma, Md Mahmudulla Hassan, Jayme Holmes, Jeremy J. Yang, Suman Sirimulla
A machine learning platform to estimate anti-SARS-CoV-2 activities.