StatCP




In-silico assay against STAT3


About StatCP:

It is a JAVA based standalone application for identification of chemical probe targeting STAT3 through in-silico assay. It implements Gompert'z function based for development of in-silico assay.

StatCP Front

Standalone [DOWNLOAD]

Introduction

By extracting the kinetics parameters from existing in vitro assay experiments, assay function can be abstracted in the form of mathematical formula. It is hypothesized that the bioassay’s environment controlling factors can be traced back from a set of IC50 values. The hypothesis was implemented by extracting the kinetics parameters for Gompertz’s function to design the in silico enzyme assay.

The hypothesis is successfully implemented with enzyme assay for STAT3 (Signal transducer and activator of transcription 3). STAT3 is a transcription factor encoded by the STAT3 gene. It is phosphorylated by various kinases by the action of cytokines and growth factors. It is involved in key roles of cell growth & apoptosis. STAT3 inhibitors with IC50 (µM) were retrieved from PubChem bioassay record AID: 1399. Besides IC50, the bioassay data also contained percentage inhibition values at a concentration gradient of 3.0 nM, 8.0 nM, 30.0 nM, 80.0 nM, 200.0 nM, 0.7 µM, 2.0 µM, 6.0 µM, 20.0 µM and 60.0 µM. 116 active compounds were reported in AID: 1399 for STAT3 inhibition.

How to Run ?

(Need JAVA 1.7 or above)


Three step run

Unzip 'StatCP.zip'

Click on executable 'StatCP.jar' & Get results at 'Result_Display.html'


In-silico Assay Result Details

1. Calculated IC50
2. Normalised IC50 against experimntal data

3. Gompertz' Kinetics parameters: alpha, beta & k
4. Lignad specific constant parameter
5. Percentage inhibition against concentration gradient

Contacts

The Director, CSIR-Central Institute of Medicinal and Aromatic Plants, P.O-CIMAP,Near Kukrail Picnic Spot Lucknow-226015 Ph:91--522-2718505 Fax:91-522-2718503 Email:director@cimap.res.in

Dr. Feroz Khan, CSIR-Central Institute of Medicinal and Aromatic Plants, P.O-CIMAP,Near Kukrail Picnic Spot Lucknow-226015 Email:f.khan@cimap.res.in

Om Prakash, CSIR-Central Institute of Medicinal and Aromatic Plants, P.O-CIMAP,Near Kukrail Picnic Spot Lucknow-226015 Email:mailbox4op@gmail.com

Work Location


Metabolic & Structural Biology Department
CSIR-CIMAP Lucknow,
Kukrail Picnic Spot Road, Lucknow, 226015
Call: +91-522-2718668
Email: f.khan@cimap.res.in; mailbox4op@gmail.com