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).
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.
DrugVirus.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:
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 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:
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 analysis
The 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):