Proceedings of the Conference on Natural Resources And Life Sciences 2022 (NRLS-BIO 2022)

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Identification of ACE1 Inhibitor Derived from Ashitaba’s Chalcones: An in Silico Approach

Authors
Thomas Alessandro1, Yulanda Antonius1, Ardhia Deasy Rosita Dewi1, Sin War Naw2, Prita Ayu Kusumawardhany3, Lanny Kusuma Widjaja3, Hazrul Iswadi4, Mariana Wahjudi1, *
1Faculty of Biotechnology, University of Surabaya, Raya Kalirungkut, Surabaya, 60293, Indonesia
2Department of Chemistry, Myitkyina University, Myitkyina, Myanmar
3Faculty of Business and Economic, University of Surabaya, Raya Kalirungkut, Surabaya, 60293, Indonesia
4Faculty of Engineering, University of Surabaya, Raya Kalirungkut, Surabaya, 60293, Indonesia
*Corresponding author. Email: mariana_wahyudi@staff.ubaya.ac.id
Corresponding Author
Mariana Wahjudi
Available Online 30 December 2023.
DOI
10.2991/978-94-6463-322-1_14How to use a DOI?
Keywords
ACE protein; hypertension; inhibitor; interaction
Abstract

The angiotensin-converting enzyme, ACE1, is one of enzymes important to blood pressure modulation. The inhibition of protein responsible for blood pressure regulation, the angiotensin-converting enzyme, ACE1, is considered as a method to alleviate the hypertension condition Ashitaba plant might be potent for anti-hypertension because of its activities, such as anti-inflammatory, vasodilation, artherosclerosis, blood sugar regulation, potassium content, stress reduction, and hyperlipidemia. This research aimed to analyse and identify compounds of Ashitaba, spesifically the chalcones which might be potential as ACE inhibitor candidates. The structures of Ashitaba’s chalcones were collected from PubChem, whilst the 3D structure of ACE protein was obtained from PDB database. Further analysis of compound including drug likeness and toxicity were conducted using SWISS ADME and Protox-II softwares, respectively. Result showed that dihydroxychalcone had strong interaction with ACE1 protein as compared to captopril, with score -7.1 kkal.mol−1. The chalcone analyses outcomes obeys all Lipinski Rule of Five (RO5) at all parameters and showed no toxicity result. In conclusion, dihydroxychalcone could be developed for further analysis as ACE1 inhibitor.

Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

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Volume Title
Proceedings of the Conference on Natural Resources And Life Sciences 2022 (NRLS-BIO 2022)
Series
Advances in Biological Sciences Research
Publication Date
30 December 2023
ISBN
978-94-6463-322-1
ISSN
2468-5747
DOI
10.2991/978-94-6463-322-1_14How to use a DOI?
Copyright
© 2023 The Author(s)
Open Access
Open Access This chapter is licensed under the terms of the Creative Commons Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/), which permits any noncommercial use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license and indicate if changes were made.

Cite this article

risenwbib
TY  - CONF
AU  - Thomas Alessandro
AU  - Yulanda Antonius
AU  - Ardhia Deasy Rosita Dewi
AU  - Sin War Naw
AU  - Prita Ayu Kusumawardhany
AU  - Lanny Kusuma Widjaja
AU  - Hazrul Iswadi
AU  - Mariana Wahjudi
PY  - 2023
DA  - 2023/12/30
TI  - Identification of ACE1 Inhibitor Derived from Ashitaba’s Chalcones: An in Silico Approach
BT  - Proceedings of the Conference on Natural Resources And Life Sciences 2022 (NRLS-BIO 2022)
PB  - Atlantis Press
SP  - 102
EP  - 107
SN  - 2468-5747
UR  - https://doi.org/10.2991/978-94-6463-322-1_14
DO  - 10.2991/978-94-6463-322-1_14
ID  - Alessandro2023
ER  -