In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2

Nuril Muhammad Zidni Amin; Sasangka Prasetyawan; Arie Srihardyastutie

doi:10.1063/5.0059676

In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2

Nuril Muhammad Zidni Amin
, Sasangka Prasetyawan
, Arie Srihardyastutie^*

^*Corresponding author for this work

Faculty of Mathematics and Natural Sciences

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

Abstract

Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of-6.0 kcal/mol to-5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.

Original language	English
Title of host publication	6th International Conference on Basic Sciences 2020, ICBS 2020
Editors	I. Wayan Sutapa, Hendry Isaac Elim, Cecilia Anna Seumahu, Hermanus Batkunde, Muh. Yahya Matdoan, Shielda Natalis Joris, Mirella Fonda Maahury
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735441163
DOIs	https://doi.org/10.1063/5.0059676
Publication status	Published - 28 Sept 2021
Event	6th International Conference on Basic Sciences 2020, ICBS 2020 - Ambon-Maluku, Virtual, Indonesia Duration: 4 Nov 2020 → 5 Nov 2020

Publication series

Name	AIP Conference Proceedings
Volume	2360
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	6th International Conference on Basic Sciences 2020, ICBS 2020
Country/Territory	Indonesia
City	Ambon-Maluku, Virtual
Period	4/11/20 → 5/11/20

UN SDGs

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

SDG 3 Good Health and Well-being

Access to Document

10.1063/5.0059676

Cite this

Amin, N. M. Z., Prasetyawan, S., & Srihardyastutie, A. (2021). In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2. In I. W. Sutapa, H. I. Elim, C. A. Seumahu, H. Batkunde, M. Y. Matdoan, S. N. Joris, & M. F. Maahury (Eds.), 6th International Conference on Basic Sciences 2020, ICBS 2020 Article 050039 (AIP Conference Proceedings; Vol. 2360). American Institute of Physics Inc.. https://doi.org/10.1063/5.0059676

Amin, Nuril Muhammad Zidni ; Prasetyawan, Sasangka ; Srihardyastutie, Arie. / In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2. 6th International Conference on Basic Sciences 2020, ICBS 2020. editor / I. Wayan Sutapa ; Hendry Isaac Elim ; Cecilia Anna Seumahu ; Hermanus Batkunde ; Muh. Yahya Matdoan ; Shielda Natalis Joris ; Mirella Fonda Maahury. American Institute of Physics Inc., 2021. (AIP Conference Proceedings).

@inproceedings{f0f12888db324a22921a6cb78fdd0c11,

title = "In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2",

abstract = "Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of-6.0 kcal/mol to-5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.",

author = "Amin, \{Nuril Muhammad Zidni\} and Sasangka Prasetyawan and Arie Srihardyastutie",

note = "Publisher Copyright: {\textcopyright} 2021 Author(s).; 6th International Conference on Basic Sciences 2020, ICBS 2020 ; Conference date: 04-11-2020 Through 05-11-2020",

year = "2021",

month = sep,

day = "28",

doi = "10.1063/5.0059676",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

editor = "Sutapa, \{I. Wayan\} and Elim, \{Hendry Isaac\} and Seumahu, \{Cecilia Anna\} and Hermanus Batkunde and Matdoan, \{Muh. Yahya\} and Joris, \{Shielda Natalis\} and Maahury, \{Mirella Fonda\}",

booktitle = "6th International Conference on Basic Sciences 2020, ICBS 2020",

}

Amin, NMZ, Prasetyawan, S & Srihardyastutie, A 2021, In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2. in IW Sutapa, HI Elim, CA Seumahu, H Batkunde, MY Matdoan, SN Joris & MF Maahury (eds), 6th International Conference on Basic Sciences 2020, ICBS 2020., 050039, AIP Conference Proceedings, vol. 2360, American Institute of Physics Inc., 6th International Conference on Basic Sciences 2020, ICBS 2020, Ambon-Maluku, Virtual, Indonesia, 4/11/20. https://doi.org/10.1063/5.0059676

In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2. / Amin, Nuril Muhammad Zidni; Prasetyawan, Sasangka; Srihardyastutie, Arie.
6th International Conference on Basic Sciences 2020, ICBS 2020. ed. / I. Wayan Sutapa; Hendry Isaac Elim; Cecilia Anna Seumahu; Hermanus Batkunde; Muh. Yahya Matdoan; Shielda Natalis Joris; Mirella Fonda Maahury. American Institute of Physics Inc., 2021. 050039 (AIP Conference Proceedings; Vol. 2360).

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

TY - GEN

T1 - In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2

AU - Amin, Nuril Muhammad Zidni

AU - Prasetyawan, Sasangka

AU - Srihardyastutie, Arie

PY - 2021/9/28

Y1 - 2021/9/28

N2 - Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of-6.0 kcal/mol to-5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.

AB - Gallic acid is one of the compounds which usually found in plants. and has been reported to have various biological activities against several cancer cell lines such as leukemia, breast cancer, and colon cancer. This research is aimed to study the stability, affinity, and interaction between gallic acid and Epidermal Growth Factor Receptor (EGFR) and Bcl-2 by in silico molecular docking. gallic acid which is a ligand is converted into a 30 structure and then docking simulation process is performed against EGFR and Bcl-2. The Result show that The interaction of gallic acid with the EGFR and Bcl-2 receptors is known to have ΔG values of-6.0 kcal/mol to-5.5 kcal/mol, Respectively. Shows that gallic acid have a anticancer activity and as inhibitor epidermal growth factor receptor and Bcl-2.

UR - https://www.scopus.com/pages/publications/85116724697

U2 - 10.1063/5.0059676

DO - 10.1063/5.0059676

M3 - Conference contribution

AN - SCOPUS:85116724697

T3 - AIP Conference Proceedings

BT - 6th International Conference on Basic Sciences 2020, ICBS 2020

A2 - Sutapa, I. Wayan

A2 - Elim, Hendry Isaac

A2 - Seumahu, Cecilia Anna

A2 - Batkunde, Hermanus

A2 - Matdoan, Muh. Yahya

A2 - Joris, Shielda Natalis

A2 - Maahury, Mirella Fonda

PB - American Institute of Physics Inc.

T2 - 6th International Conference on Basic Sciences 2020, ICBS 2020

Y2 - 4 November 2020 through 5 November 2020

ER -

Amin NMZ, Prasetyawan S, Srihardyastutie A. In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2. In Sutapa IW, Elim HI, Seumahu CA, Batkunde H, Matdoan MY, Joris SN, Maahury MF, editors, 6th International Conference on Basic Sciences 2020, ICBS 2020. American Institute of Physics Inc. 2021. 050039. (AIP Conference Proceedings). doi: 10.1063/5.0059676

In silico molecular docking study of gallic acid as inhibitor epidermal growth factor receptor and Bcl-2

Abstract

Publication series

Conference

UN SDGs

Access to Document

Other files and links

Fingerprint

Cite this