Proceedings of the 7th International Conference on Biological Science (ICBS 2021)

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Computational Study of Natural Compounds in Melon Fruit (Cucumis melo L. ‘GMP’) as Inhibitor of Epidermal Growth Factor Receptor Protein

Authors
Wiko Arif Wibowo1, Teuku Nanda Saifullah Sulaiman2, Supriyadi Supriyadi3, Budi Setiadi Daryono4, *
1Doctoral Program, of Department of Tropical Biology, Faculty of Biology, Universitas Gadjah Mada, Sekip Utara, Sleman, Yogyakarta, Indonesia
2Department of Pharmaceutics, Faculty of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Sleman, Yogyakarta, Indonesia
3Department of Food and Agriculture Product Technology, Faculty of Agricultural Technology, Universitas Gadjah Mada, Bulaksumur, Yogyakarta, Indonesia
4Departmen of Tropical Biology, Faculty of Biology, Universitas Gadjah Mada, Sekip Utara, Sleman, Yogyakarta, Indonesia
*Corresponding author. Email: bs_daryono@mail.ugm.ac.id
Corresponding Author
Budi Setiadi Daryono
Available Online 2 May 2022.
DOI
10.2991/absr.k.220406.028How to use a DOI?
Keywords
Anti-cancer; EGFR protein; GMP melon; Molecular docking; Natural compounds
Abstract

‘GMP’ melon is a breeding cultivar that has a bitter taste and fragrant aroma. The bitter taste character indicates the presence of potential natural compounds that can be used as anti-cancer. This study aims to reveal the natural compounds of ‘GMP’ melon and its use as an anti-cancer computationally. Experimenting with the content of natural compounds in ‘GMP’ melon with fruit extraction at medium maturity level and analyzed using Liquid Chromatography-Mass Spectrometry. The probable potential of natural compounds was predicted by PASS online. Analysis computationally of natural compounds potency using specific docking of EGFR protein with AutoDock Vina program from PyRx software. Visualization of docking results using Biovia Discovery Studio and comparing binding affinity values. The screening results showed ‘GMP’ melon had 42 potential natural compounds that passed RO5 screening out of 63 detected metabolites. Based on PASS online, the antioxidant compound group is predicted to have direct activity as a kinase inhibitor, while the cucurbitacin compound group is expected to have antineoplastic activity associated with lung cancer. The docking results show 9 potential natural compound candidates that have a lower binding affinity value than the native ligand (17.7 kcal/mol), namely Quercetin (−8.9 kcal/mol), Cucurbitacin B (−8.5 kcal/mol), Kaempferol (−8.5 kcal/mol), Naringenin (−8.5 kcal/mol), Isorhamnetin (−8.4 kcal/mol), Cucurbitacin I (−8.4 kcal/mol), Catechin (−8.3 kcal/mol), Isocucurbitacin R (−8.3 kcal/mol)), and Cucurbitacin R (−8.2 kcal/mol).

Copyright
© 2022 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article distributed under the CC BY-NC 4.0 license.

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Volume Title
Proceedings of the 7th International Conference on Biological Science (ICBS 2021)
Series
Advances in Biological Sciences Research
Publication Date
2 May 2022
ISBN
978-94-6239-573-2
ISSN
2468-5747
DOI
10.2991/absr.k.220406.028How to use a DOI?
Copyright
© 2022 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article distributed under the CC BY-NC 4.0 license.

Cite this article

risenwbib
TY  - CONF
AU  - Wiko Arif Wibowo
AU  - Teuku Nanda Saifullah Sulaiman
AU  - Supriyadi Supriyadi
AU  - Budi Setiadi Daryono
PY  - 2022
DA  - 2022/05/02
TI  - Computational Study of Natural Compounds in Melon Fruit (Cucumis melo L. ‘GMP’) as Inhibitor of Epidermal Growth Factor Receptor Protein
BT  - Proceedings of the 7th International Conference on Biological Science (ICBS 2021)
PB  - Atlantis Press
SP  - 186
EP  - 192
SN  - 2468-5747
UR  - https://doi.org/10.2991/absr.k.220406.028
DO  - 10.2991/absr.k.220406.028
ID  - Wibowo2022
ER  -