IN SILICO DESIGN & DEVELOPMENT OF NATURAL PRODUCTS

FOR THE TREATMENT OF THYROID DISEASE

Dissertation Submitted to

Acharya Nagarjuna University

In partial fulfilment of the requirements for the award of the degree of
BACHELOR OF PHARMACY
By

SRIRAM SHYAMANANDA
Y19PH12080

Under the supervision of

Dr. SK. ABDUL RAHAMAN M. Pharm Ph. D, F I C,
V. PADMAJA M. Pharm

NIRMALA COLLEGE OF PHARMACY

Atmakuru road, Mangalagiri -522503, Guntur Dt., A.P
Approved by AICTE and PCI, Affiliated to ANU, GUNTUR
Accredited by NAAC & Approved under UGC 2f & 2b, NIRF & ATAL Ranked

2019-2023
 NIRMALA COLLEGE OF PHARMACY
Atmakuru Road, Mangalagiri 522503, Guntur Dt, A.P

.
DECLARATION BY THE CANDIDATE

I hereby declare that the matter embodied in the dissertation entitled “IN
SILICO DESIGN AND DEVELOPMENT OF NATURAL PRODUCTS FOR THE
TREATMENT OF THYROID DISEASE” is a bonafide genuine research work
carried out by me, under the joint supervision of Dr. SK. ABDUL RAHAMAN, M. Pharm,
Ph. D, FIC and V. PADMAJA, M. Pharm in the Department of Pharmaceutical Analysis,
Nirmala college of Pharmacy, Atmakuru, Mangalagiri, Guntur dist. The work embodied
in this thesis is original under me and has not been submitted on the basis for the award
of Degree, Diploma, Associate Ship (or) Fellowship of Any other University (or)
Institution.

PATTEM VIJAYA DURGA Y19PH12065

 NIRMALA COLLEGE OF PHARMACY
Atmakuru Road, Mangalagiri 522503, Guntur Dt, A.P

CERTIFICATE BY THE SUPERVISIOR

This is to certify that dissertation entitled “IN SILICO DESIGN AND
DEVELOPMENT OF NATURAL PRODUCTS FOR THE TREATMENT OF
THYROID DISEASE” submitted to Acharya Nagarjuna University in partial
fulfilment of the requirement for the award of Bachelor Degree in Pharmacy is a
bonafide research work carried out by me under the joint guidance and supervision in
the Department of Pharmaceutical Analysis in Nirmala College of Pharmacy. This
dissertation partially or fully as not been submitted for any other Degree of this
University (or) any other University.

V. PADMAJA M. Pharm Dr. Sk. ABDUL RAHAMAN, M. Pharm, Ph. D, FIC

Assistant Professor
Department of Pharmaceutical Analysis,
Nirmala College of Pharmacy,
Atmakuru, Mangalagiri,
Guntur, Andhra Pradesh.
Principal & Professor
Department of Pharmaceutical Analysis,
Nirmala college of Pharmacy,
Atmakuru, Mangalagiri,
Guntur, Andhra Pradesh.

Signature of the Examiner

 NIRMALA COLLEGE OF PHARMACY
Atmakuru Road, Mangalagiri 522503, Guntur Dt, A.P

ENDORSEMENT BY PRINCIPAL

This is to certify that dissertation entitled “IN SILICO DESIGN AND

DEVELOPMENT OF NATURAL PRODUCTS FOR THE TREATMENT OF
THYROID DISEASE” submitted to Acharya Nagarjuna University in partial
fulfilment of the requirement for the award of Bachelor Degree in Pharmacy is a
bonafide research work carried out by me under the joint guidance and supervision of
Dr. SK. ABDUL RAHAMAN and V. PADMAJA in the Department of Pharmaceutical
Analysis in Nirmala college of Pharmacy. This dissertation partially or fully as not been
submitted for any other Degree of this University or any other University.

PRINCIPAL
Dr. SK. ABDUL RAHAMAN, M. Pharm, Ph. D, FIC
Nirmala College of Pharmacy,
Atmakuru, Guntur.
 ACKNOWLEDGEMENT

Gratitude is a refrain in my life that must always be repeated. There are a number of people
whom we consider part of this simple anthology and to I owe so much.

It is a great pleasure to acknowledge my sincere and deep sense of gratitude to our teacher and
research supervisor Dr.SK. ABDUL RAHAMAN principal & professor in Nirmala College of
Pharmacy. Who had not only suggested this work and guided me all throughout the work, but also
kept my spirit high up by his valuable suggestions and persisting encouragement. His everlasting
patience and a keen interest in discussion have benefited me to accomplish the project work.

At the outset I express my deep sense of gratitude, and sincere thanks to V. PADMAJA
professor for here kind involvement and support throughout the course of study. I extend our thanks
to my beloved Secretary & Correspondent Sr. G. NIRMALA JYOTHI and all lectures for their helpful
suggestions in the work.

Finally, I would like to thank all the people involved in this project work, their co-operation
towards my work without, whom this project report would not have shaped out to my expectations.

ACCOMPLISHED BY

PATTEM VIJAYA DURGA Y19PH12065

 CONTENTS

CHAPTER TITLE OF THE CHAPTER PPAGE

NO NO
LIST OF TABLES 6&31

LIST OF FIGURES

I. ABSTACT 1

II. INTRODUCTION 2 to 9

III. AIM AND OBJECTIVE 10

IV. LITERATURE REVIEW 11

V. METHODOLOGY 12 to 29

VI. RESULTS AND DISCUSSION 30 to 31

VII. SUMMARY AND CONCLUSION 32

VIII. REFERENCES 33
 LIST OF TABLES

Table no Table Page no

I. Thyroid hormone levels 6
II. Binding energy details of compounds 31
 LIST OF FIGURES

Figure Title Page No:

no:
2.1 The thyroid gland 5
2.2 Signs and symptoms of Hypothyroidism 8
2.3 Difference between normal thyroid gland and hypothyroid gland 9
5.1 Rigid Docking 13
5.2 Flexible Docking 14
5.3 & 5.4 Pictorial representation of Thyroid hormone receptor 15&16
5.5 Structure of Alpha-linolenic acid 17
5.6 Structure of Oleuropein 17
5.7 Structure of Eugenol 18
5.8 Structure of gallic acid 18
5.9 Structure of coumaric acid 18
5.10 Structure of Resveratrol 19
5.11 Structure of triiodothyronine 19
5.12 Structure of Phloridzin 20
5.13 Structure of Quercitin 20
5.14 Docking structure of Triiodothyronine 21
5.15 Docking structure of Quercitin 22
5.16 Docking structure of Resveratrol 23
5.17 Docking structure of Coumaric acid 24
5.18 Docking structure of Oleuropein 25
5.19 Docking structure of Alpha linolenic acid 26
5.20 Docking structure of Eugenol 27
5.21 Docking structure of Gallic acid 28
5.22 Docking structure of Phloridzin 29