Frequently Asked Questions (FAQs)

Q1. What is i-DENV ?

Q2. Which data is utilized for developing the model in i-DENV ?

Q3. On which serotypes of the Dengue Virus does this study focus, considering the presence of multiple serotypes ?

Q4. What is the nature of the selected datasets in this study ? Do they primarily target viral load or specific viral proteins/enzymes ?

Q5. Is the i-DENV algorithm developed for regression or classification problems ?

Q6. Is this i-DENV web server freely available ?

Q7. Are there alternative computational tools or resources for predicting the inhibitory potential of compounds against the dengue virus ?

Q8. What type of input is required for the i-DENV algorithm ?

Q9. What is the processing time for queries on the i-DENV server, and how can users retrieve the results ?

---

Q1. What is i-DENV ?

i-DENV is a prediction algorithm based on Quantitative Structure-Activity Relationship (QSAR) designed to identify the inhibitory efficacy, measured in terms of pIC50 and IC50 values (μM) of any compound against dengue virus.

Q2. Which data is utilized for developing the model in i-DENV ?

We employed ChEMBL and denvInd database to curate the data targeting NS3 and NS5 proteins. ChEMBL, manually curated database that compiles bioactive molecules with drug-like properties. It integrates chemical, bioactivity, and genomic data to facilitate the translation of genomic information into effective new drugs. DenvInd provides comprehensive information about dengue virus (DENV) inhibitors, focusing primarily on the NS3 and NS5 proteins.

Q3. On which serotypes of the Dengue Virus does this study focus, considering the presence of multiple serotypes ?

The CHEMBL entries used in the study specifically target the NS3 protein of the DENV-2 serotype, whereas CHEMBL entries for the NS5 protein target all four dengue virus serotypes. DenvInd data also target all dengue serotypes for the NS5 protein.

Q4. What is the nature of the selected datasets in this study ? Do they primarily

The ChEMBL and denvInd database that were used for the study targeting NS3 and NS5 viral proteins/enzymes of dengue virus.

Q5. Is the i-DENV algorithm developed for regression or classification problems ?

i-DENV is the first regression-based algorithm developed to predict the inhibitory potential of any compound against dengue virus.

Q6. Is this i-DENV web server freely available ?

Yes, it is freely available at our website https://bioinfo.imtech.res.in/manojk/idenv/

Q7. Are there alternative computational tools or resources for predicting the inhibitory potential of compounds against the dengue virus ?

Currently i-DENV, the first regression-based algorithm, utilizing quantitative structure-activity relationship (QSAR) techniques, including 2D and 3D descriptors, and fingerprints, applicable to any compound for determining the dengue inhibition potential of compounds. However, a limitation of this server is that it targets viral load rather than specific viral proteins or enzymes.

Q8. What type of input is required for the i-DENV algorithm ?

In the case of chemicals, the input should be provided in the sdf format.

Q9. What is the processing time for queries on the i-DENV server, and how can users retrieve the results ?

Typically, the algorithm requires 2-5 minutes for query processing. Users are provided with a Job ID for each process, enabling them to retrieve or check the status of their query.