Getting Started
Welcome
What is DrugVirus.info?DrugVirus.info 2.0: is an integrative interactive resource for exploration and analysis of broad-spectrum antiviral drugs (BSAs) and BSA-containing drug combinations (BCCs).
DrugVirus.info allows:
- interactive exploration of BSAs and BSA-containing drug combinations (BCCs)
- interactive analyses of user-provided BSAs and BCCs
- interactive exploration of structure-activity relationship of BSAs
Main page
The main page allows to access three main sections of the portal: BSA database, BCC database, and analysis module:
Each of three sections is discussed in detailes below.
In addition DrugVirus.info 2.0 implements a structure-activity relationship (SAR) based on DrugVirus.info shown on the main page. SAR dendrogram displays the similarity between chemical structures of BSAs as a hierarchically-clustered tree, where each compound forms the node in the tree annotated with the respective developmental status of the compound against the user-selected virus (bubbles around the tree).
One can see on the above figure that tree sub-clusters indicate the space for structurally similar BSAs which could be developed further for treatment of SARS-CoV-2 infection.
Databases
Broad-spectrum antiviral databaseDrugVirus.info BSA database (BSA DB) allows to explore the available information on BSAs, while focusing on those antivirals, which have been already tested in human as antivirals, antibacterials, antiprotozoals, anthelmintics, etc.
Interactive heatmap of Broad-spectrum antiviral agents (BSAAs) and viruses they inhibit serves as a main exploration resource. BSAAs are ranged from the highest to lowest number of targeted viruses. The different heatmap shadings indicate the developmental status of BSAAs. Gray shading indicates that the antiviral activity has not been either studied or reported.
BSA database provides multiple interactive features for better user experience:
- Hovering over heatmap shows developmental status of BSAAs, hovering over drug names provides information on drugs (such as Mode of action), while hovering over virus names displays information on viruses.
- Users may also click on the heatmap (cells) to get a source where BSAA activity against virus was reported.
- Sorting of heatmap is additional feature provided by clicking on the drug name (Viruses are initially clustered by virus groups).
- Users may select a subset of heatmap by selecting set of drugs and set of viruses to be displayed.
All the figures can be exported by clicking an export options (three dots) on the edge of the heatmap surrounding box.
BSA database also includes data on selectivity indexes (SI=CC50/EC50) for each compound obtained by data mining of > 1000 publicly available publications. For example, one can compare remdesivir SIs against various viruses, which would suggest that remdesivir is active against many RNA viruses:
BSA-containing drug combination database
BSA-containing combination database (BCC DB) includes > 400 antiviral drug combinations. The database is presented in a tabular format and contains various information (e.g. developmental phase, tested model, drug structures, etc) on each combination:
BSA and BCC data analysis
DrugVirus.info 2.0 allows to calculate and score BSA efficacy and toxicity. DrugVirus.info allows the analysis of both single antiviral drugs (e.g. BSAs) and antivtial drug combinations (e.g. BCCs).
Single-drug analysisThe tool requires the raw screening data as input, in percantage of antiviral efficacy and antiviral toxicity (control). Antiviral efficacy is provided in AntiviralResponse column, while toxicity in CellViability column (control, optional):
Note: AntiviralResponse column is mandatory, while CellViability (control) column is optional, but required to calculate SI index and ΔDSS
The tool will automatically fit the dose-response curves using the Hill equation for both efficacy and toxicity(control) curves. Next, DrugVirus.info summarizes dose-response relationship into single metric including EC50, CC50 (in case the toxicity data is provided), selectivity index (SI = CC50/EC50) and drug sensitivity score (DSS), that represents a normalized version of standard AUC.
In case, the replicates are provided, all of them will be utilized for fitting resulting in more robust curve fits.
Drug combination analysis
DrugVirus.info 2.0 also calculates and scores antiviral combination synergy. For this, it also utilizes the raw screening data as input and calculates a ZIP synergy score for each combination using SynergyFinder, with positive and negative values denoting synergy and antagonism respectively.
As an output, the tool provides publication-quality visualizations and sharable report link.
Feedback
A feedback form is available on the right side of the website. Please leave your feedback/suggestion and the website will be updated upon request or as soon as a new save-in-man BSAA emerges or novel activity of existing BSAA is reported.