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

Alessandro, Thomas and Antonius, Yulanda and Dewi, Ardhia Deasy Rosita and Naw, Sin War and Kusumawardhany, Prita Ayu and Widjaja, Lanny Kusuma and Iswadi, Hazrul and Wahjudi, Mariana (2023) Identification of ACE1 Inhibitor Derived from Ashitaba’s Chalcones: An in Silico Approach. In: Proceedings of the Conference on Natural Resources And Life Sciences 2022 (NRLS-BIO 2022), 24-25 August 2022, virtual conference.

PDF Identification of ACE1 Inhibitor Derived.pdf Download (387kB)

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.

Item Type:	Conference or Workshop Item (Paper)
Uncontrolled Keywords:	ACE protein, hypertension, inhibitor, interaction
Subjects:	T Technology > T Technology (General)
Divisions:	Faculty of Technobiology > Department of Biology
Depositing User:	Ester Sri W. 196039
Date Deposited:	04 Dec 2024 08:48
Last Modified:	04 Dec 2024 08:48
URI:	http://repository.ubaya.ac.id/id/eprint/47448

Actions (login required)

View Item