modeling and inhibition of vegf-c/vegfr2 active site

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MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE Mohamed El Mansy Matthew Flister Denan Wang Under supervision of Professor Daniel Sem

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MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE. Mohamed El Mansy Matthew Flister Denan Wang. Under supervision of Professor Daniel Sem. Angiogenesis. INTRODUCTION. VEGF. oxygen and nutrients. Anti apoptosis. Targeting VEGF is a promising anti-cancer treatment. Blood. Tumors. - PowerPoint PPT Presentation

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Page 1: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Mohamed El Mansy

Matthew Flister

Denan Wang

Under supervision of

Professor Daniel Sem

Page 2: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

INTRODUCTION

Blood Tumors

oxygen and nutrients

chemotherapy and other drugs

AngiogenesisVEGF Anti

apoptosis

Targeting VEGF is a promising anti-cancer treatment.

Page 3: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Several signaling pathways are activated by VEGFR2, including the PI 3- kinase/Akt pathway and MAP kinases such as ERK1 and ERK2

http://www.sigmaaldrich.com

Page 4: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Protein Structure

VEGF-C

Anti-parallel homodimer,

two cysteine disulfide bonds

VEGF-C/VEGFR2

Complex of four domains, two

VEGFR2 bound to VEGF dimer

Page 5: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Active Site

Page 6: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

LIGANDS DESIGN

NH2

OHO

O

O

NH2

OH3CO

O

O

NH2

OOH

OMe

NH2

OHO

O

O

NH

OHO

O

OOHO

O

O

OHO

O

O

O

NH2

OMe

O

O

OH

H2N

H2N O NH2

OHO CO2Me

N

OHO

H2N O

O

OMe

4 5 6

7 8 9 10

1 2 3

Page 7: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Dr. Wilkinson’s lab has recently been working on whether a second gene

influences how well VEGF can activate its receptor (KDR).

They can then use protein called ECSCR measure sensitivity to VEGF.

Future research in anti-VEGF therapies will most likely combine anti-

tumor therapy with anti-VEGF treatment at the correct dosage and time.

Future work

Page 8: MODELING AND INHIBITION OF VEGF-C/VEGFR2 ACTIVE SITE

Thank you