This document discusses developing a quantitative structure-activity relationship (QSAR) model to analyze modulators of the estrogen receptor beta (ER-β). ER-β is expressed in various tissues and plays roles in diseases. The objectives are to study ER-β's role in diseases, identify potent ER-β inhibitors and their modulation activity, and develop 2D and 3D QSAR models. So far, regression analysis and ER-β receptor structures from databases have been studied. Further work involves identifying ER-β modulators, QSAR modeling techniques, factors influencing ER-β modulation, developing a QSAR model, analyzing results, and preparing a report.

1. QSAR modeling for the
Analysis of Estrogen
Receptor Beta Modulator
(ER-β))
BY-
Siddharth Singh -1314354041

2. INTRODUCTION
• Estrogen receptors (ERs) are basically the group of proteins found inside and on
the cells & Estrogen (17β-estradiol) is the activator of Ers.
• The estrogen belongs to the sex steroid hormones & plays crucial role in female
reproductive system and also exerts important effects on non-reproductive targets
such as bone, cardiovascular system and neural sites involved in cognition. ERβ is
expressed in a variety of the normal and malignant tissues, modulation of immune
responses.
• Quantitative Structure-Activity Relationship(QSAR) is an approach which is
designed to find relationship between the chemical structure (structural related
properties) and the biological activity (target property) of the studied compounds.
• So to identify & study various modulators for the ER-Beta and their function will
be performed.

3. Objective
 To study the role & implication of estrogen receptor-β in
various diseases.
 To identify different potent inhibitor’s which can modulate the
activity of ER-β.
 To identify different type of QSAR modal development &
analysis (2D & 3D).
 To develop a QSAR modal for the study of activity modulation
as the function of structural property of ER-β.

4. Materials and method
 Materials
Structure of ER-β (obtain from PDB database).
Modulators (obtain from zinc database).
QSAR (by multiple regression tools).
 Methods
Structure of modulators & ER-beta will be analyzed from Rcsb(Pdb
database).
Collection of literature & structure.
Development of QSAR modal for the study of modulator activity on ER-β
structure will be done.

5. Project work done till date
 Studied About Regression Analysis.
 Studied Various Beta Receptor viz - 4ZI1 & 1L2J
FROM PDB & PDBSUM about their
structure,domain,ligand, binding response and
function as well.

6. Work yet to be done
 Identifications of different ER- β modulators.
 Identification of different QSAR modeling tool and
techniques.
 Identification of different causes & reasons which
are responsible for modulation of activity of ER-β.
 Development of QSAR modal for the study of
modulator activity on ER-β structure.
 Analysis of different resultant data generated
from the model for summarizing the result.
 Preparation of project report