Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design

Vincent Jonathan Fleming; Mutiara Saragih; Usman Sumo Friend Tambunan

Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design

Vincent Jonathan Fleming, Mutiara Saragih, Usman Sumo Friend Tambunan

Department of Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Citation (Scopus)

Abstract

Breast cancer has become one of the leading cause of women’s death around the world. Breast cancer can be caused by genetic or environmental factors. Human epidermal growth factor receptor 2 (HER2) is one of the main causes of breast cancer. The HER2 tyrosine kinase plays a significant role in the dimerization reaction which causes auto-phosphorylation of tyrosine residues in the cytoplasmic domain that triggers the growth of the cancer cells. Inhibition of HER2 protein activity can be a potential alternative for breast cancer treatment. Flavonoids have become an important scaffold in medicinal chemistry due to its bioactivity and availability. Therefore, flavonoids were used as the database on this in silico research. Fragment-based drug design was applied to determine novel drug candidates. Three potential candidates were obtained in this research. VC-255 was selected as the best inhibitor candidates for HER2 tyrosine kinase.

Original language	English
Title of host publication	Symposium of Materials Science and Chemistry II
Editors	Tutik Dwi Wahyuningsih, Roto Roto, Dwi Siswanta, Rohana Adnan, Laurent Commeiras, Kuwat Triyana, Kuwat Triyana, Indriana Kartini, Julius Motuzas
Publisher	Trans Tech Publications Ltd
Pages	230-236
Number of pages	7
ISBN (Print)	9783035716139
Publication status	Published - 1 Jan 2020
Event	5th International Conference on Science and Technology, ICST 2019 - Yogyakarta, Indonesia Duration: 30 Jul 2019 → 31 Jul 2019

Publication series

Name	Key Engineering Materials
Volume	840 KEM
ISSN (Print)	1013-9826
ISSN (Electronic)	1662-9795

Conference

Conference	5th International Conference on Science and Technology, ICST 2019
Country/Territory	Indonesia
City	Yogyakarta
Period	30/07/19 → 31/07/19

Keywords

Breast cancer
Flavonoid
HER2
In silico

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Cite this

Fleming, V. J., Saragih, M., & Tambunan, U. S. F. (2020). Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design. In T. D. Wahyuningsih, R. Roto, D. Siswanta, R. Adnan, L. Commeiras, K. Triyana, K. Triyana, I. Kartini, & J. Motuzas (Eds.), Symposium of Materials Science and Chemistry II (pp. 230-236). (Key Engineering Materials; Vol. 840 KEM). Trans Tech Publications Ltd.

Fleming, Vincent Jonathan ; Saragih, Mutiara ; Tambunan, Usman Sumo Friend. / Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design. Symposium of Materials Science and Chemistry II. editor / Tutik Dwi Wahyuningsih ; Roto Roto ; Dwi Siswanta ; Rohana Adnan ; Laurent Commeiras ; Kuwat Triyana ; Kuwat Triyana ; Indriana Kartini ; Julius Motuzas. Trans Tech Publications Ltd, 2020. pp. 230-236 (Key Engineering Materials).

@inproceedings{b0f9e4628a8e4155ac92a85990f369b2,

title = "Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design",

abstract = "Breast cancer has become one of the leading cause of women{\textquoteright}s death around the world. Breast cancer can be caused by genetic or environmental factors. Human epidermal growth factor receptor 2 (HER2) is one of the main causes of breast cancer. The HER2 tyrosine kinase plays a significant role in the dimerization reaction which causes auto-phosphorylation of tyrosine residues in the cytoplasmic domain that triggers the growth of the cancer cells. Inhibition of HER2 protein activity can be a potential alternative for breast cancer treatment. Flavonoids have become an important scaffold in medicinal chemistry due to its bioactivity and availability. Therefore, flavonoids were used as the database on this in silico research. Fragment-based drug design was applied to determine novel drug candidates. Three potential candidates were obtained in this research. VC-255 was selected as the best inhibitor candidates for HER2 tyrosine kinase.",

keywords = "Breast cancer, Flavonoid, HER2, In silico",

author = "Fleming, {Vincent Jonathan} and Mutiara Saragih and Tambunan, {Usman Sumo Friend}",

note = "Publisher Copyright: {\textcopyright} 2020 Trans Tech Publications Ltd, Switzerland.; 5th International Conference on Science and Technology, ICST 2019 ; Conference date: 30-07-2019 Through 31-07-2019",

year = "2020",

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day = "1",

language = "English",

isbn = "9783035716139",

series = "Key Engineering Materials",

publisher = "Trans Tech Publications Ltd",

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editor = "Wahyuningsih, {Tutik Dwi} and Roto Roto and Dwi Siswanta and Rohana Adnan and Laurent Commeiras and Kuwat Triyana and Kuwat Triyana and Indriana Kartini and Julius Motuzas",

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Fleming, VJ, Saragih, M & Tambunan, USF 2020, Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design. in TD Wahyuningsih, R Roto, D Siswanta, R Adnan, L Commeiras, K Triyana, K Triyana, I Kartini & J Motuzas (eds), Symposium of Materials Science and Chemistry II. Key Engineering Materials, vol. 840 KEM, Trans Tech Publications Ltd, pp. 230-236, 5th International Conference on Science and Technology, ICST 2019, Yogyakarta, Indonesia, 30/07/19.

Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design. / Fleming, Vincent Jonathan; Saragih, Mutiara; Tambunan, Usman Sumo Friend.
Symposium of Materials Science and Chemistry II. ed. / Tutik Dwi Wahyuningsih; Roto Roto; Dwi Siswanta; Rohana Adnan; Laurent Commeiras; Kuwat Triyana; Kuwat Triyana; Indriana Kartini; Julius Motuzas. Trans Tech Publications Ltd, 2020. p. 230-236 (Key Engineering Materials; Vol. 840 KEM).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design

AU - Fleming, Vincent Jonathan

AU - Saragih, Mutiara

AU - Tambunan, Usman Sumo Friend

PY - 2020/1/1

Y1 - 2020/1/1

N2 - Breast cancer has become one of the leading cause of women’s death around the world. Breast cancer can be caused by genetic or environmental factors. Human epidermal growth factor receptor 2 (HER2) is one of the main causes of breast cancer. The HER2 tyrosine kinase plays a significant role in the dimerization reaction which causes auto-phosphorylation of tyrosine residues in the cytoplasmic domain that triggers the growth of the cancer cells. Inhibition of HER2 protein activity can be a potential alternative for breast cancer treatment. Flavonoids have become an important scaffold in medicinal chemistry due to its bioactivity and availability. Therefore, flavonoids were used as the database on this in silico research. Fragment-based drug design was applied to determine novel drug candidates. Three potential candidates were obtained in this research. VC-255 was selected as the best inhibitor candidates for HER2 tyrosine kinase.

AB - Breast cancer has become one of the leading cause of women’s death around the world. Breast cancer can be caused by genetic or environmental factors. Human epidermal growth factor receptor 2 (HER2) is one of the main causes of breast cancer. The HER2 tyrosine kinase plays a significant role in the dimerization reaction which causes auto-phosphorylation of tyrosine residues in the cytoplasmic domain that triggers the growth of the cancer cells. Inhibition of HER2 protein activity can be a potential alternative for breast cancer treatment. Flavonoids have become an important scaffold in medicinal chemistry due to its bioactivity and availability. Therefore, flavonoids were used as the database on this in silico research. Fragment-based drug design was applied to determine novel drug candidates. Three potential candidates were obtained in this research. VC-255 was selected as the best inhibitor candidates for HER2 tyrosine kinase.

KW - Breast cancer

KW - Flavonoid

KW - HER2

KW - In silico

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AN - SCOPUS:85085192880

SN - 9783035716139

T3 - Key Engineering Materials

SP - 230

EP - 236

BT - Symposium of Materials Science and Chemistry II

A2 - Wahyuningsih, Tutik Dwi

A2 - Roto, Roto

A2 - Siswanta, Dwi

A2 - Adnan, Rohana

A2 - Commeiras, Laurent

A2 - Triyana, Kuwat

A2 - Kartini, Indriana

A2 - Motuzas, Julius

PB - Trans Tech Publications Ltd

T2 - 5th International Conference on Science and Technology, ICST 2019

Y2 - 30 July 2019 through 31 July 2019

ER -

Fleming VJ, Saragih M, Tambunan USF. Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design. In Wahyuningsih TD, Roto R, Siswanta D, Adnan R, Commeiras L, Triyana K, Triyana K, Kartini I, Motuzas J, editors, Symposium of Materials Science and Chemistry II. Trans Tech Publications Ltd. 2020. p. 230-236. (Key Engineering Materials).

Utilization of flavonoid compounds as HER2 tyrosine kinase inhibitor in breast cancer using fragment-based drug design

Abstract

Publication series

Conference

Keywords

UN SDGs

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