Welcome to STAT3In

Reference: Dhall A, Patiyal S, Sharma N, Devi NL, Raghava GPS (2021) Computer-aided prediction of inhibitors against
STAT3 for managing COVID-19 associated cytokine storm Comput. Biol. Med. doi.org/10.1016/j.compbiomed.2021.104780

STAT3 is a pleiotropic transcription factor, which is activated in response to various cytokines such as IL6, IL10, and growth factors (FGF, EGF, and IGF). STAT3 mediated signaling pathway promotes the immunopathological responses, induction of inflammatory response and development of M2-like macrophages. STAT3 upregulation is associated with several pathological events, like cancer progression, proliferation, invasion, migration, angiogenesis, and multidrug resistance in various diseases. Additionally, STAT3 hyper-activation increases the cytokine storm production which play a major role in the pathogenesie ef COVID-19. Therefore, it is very important to design inhibitors which can supress the STAT3 activity, in order to cure a large number of diseases, associated with STAT3 activation. To facilitate researcher working in this era, we have developed a computational tool for the prediction and designing of STAT3 inhibitors/non-inhibitors.This server incorporate three modules to predict, draw, and design the chemical molecules which can inhibit STAT3 activation.

Major Modules

Prediction

In this module, user can predict the chemical compund is STAT3 inhibitor/non-inhibitor. Here the users are allowed to paste or upload a file with multiple molecules in different file formats like; SMILES, SDF, and MOL format.

Draw Structure

This module was developed for predicting whether the chemical molecule is an inhibitor of STAT3 or not. It allows users to draw the chemical structure of the molecule using the Ketcher. Users have the choice to either build a new molecule or edit/modify an existing molecule.

Analog Design

This module is designed specifically for the users who want to develop analogs of their lead molecule. A user needs to submit a scaffold structure along with the building blocks and linker molecules.