In Silico Study of Compound Extract In Soursop Plant (Annona muricata) as Ace Inhibitor In Hypertension Disease

Cecep Suhandi, Petrus Putra Bagaskhara, Muchtaridi Muchtaridi, Raden Indah Puspita Syafitri, Salma Hasni Amalia, Alifia Bintang Azzahra, Zahra Ganesya Citraloka

Abstract


Hypertension is one of the risk factors for cardiovascular disease that has become a serious global health problem. In terms of searching for active compounds that have the potential as antihypertensives, phytochemical studies on natural ingredients are continuously being carried out. One of them is soursop which is known to be able to lower blood pressure in people with hypertension. Alkaloids contained in soursop leaves can work as Angiotensin Converting Enzyme Inhibitor hat reduce ADH hormone secretion. This research was conducted to find out the antihypertensive potential of natural compounds in soursop leaves that interact with ACEI. The research was carried out in two steps, namely molecular anchoring and pharmacophore modeling. Based on the research that has been done, Anomuricine is the compound with the most potential interaction with ACEI with a Gibbs free energy of -9.13 kcal/mol and an inhibition constant of 202.83 uM. In addition, the Anomuricine compound has a lower binding energy than the standard ligand binding energy. Thus, it can be said that Anomuricine from soursop leaves (Annona muricata) has the potential as a lead compound.


Full Text:

PDF

References


Arum YTG. Hipertensi pada Penduduk Usia Produktif (15-64 Tahun). HIGEIA J Public Heal Res Dev. 2019;3(3):345–56.

Hariawan H, Tatisina CM. Pelaksanaan Pemberdayaan Keluarga Dan Senam Hipertensi Sebagai Upaya Manajemen Diri Penderita Hipertensi. J Pengabdi Masy Sasambo. 2020;1(2):75–9.

Larkin KT, Cavanagh C. Hypertension. In: Encyclopedia of Mental Health, 2nd edition, Vol 2. Waltham, MA: Academic Press; 2016. p. 354–60.

Sangging PRA, Sari MRN. Efektivitas Teh Daun Sirsak (Annona muricata Linn.) terhadap Hipertensi. Majority. 2017;6(2):49–54.

Swastini N. Efektivitas Daun Sirsak (Annona muricata Linn) terhadap Penurunan Tekanan Darah Pada Hipertensi. J Ilm Kesehat Sandi Husada. 2021;10(2):413–5.

Masuyer G, Akif M, Czarny B, Beau F, Schwager SLU, Sturrock ED, et al. Crystal structures of highly specific phosphinic tripeptide enantiomers in complex with the angiotensin-I converting enzyme. FEBS J. 2014;281(3):943–56.

Lipinski CA. Lead- and Drug-Like Compounds: The Rule-Of-Five Revolution. Drug Discov Today Technol. 2004;1(4):334–41.

Pollastri MP. Overview on the Rule of Five. Curr Protoc Pharmacol. 2010;49(1):9.12.1-9.12.8.

Jain AN, Nicholls A. Recommendations for evaluation of computational methods. J Comput Aided Mol Des. 2008;22(3–4):133–9.

Ramírez D, Caballero J. Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data? Molecules. 2018;23(5):1–17.

Hevener KE, Zhao W, Ball DM, Babaoglu K, Qi J, White SW, et al. Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase. J Chem Inf Model. 2009;49(2):444–60.




DOI: https://doi.org/10.24198/ijcb.v1i1.40533

Refbacks

  • There are currently no refbacks.


This journal is indexed by : 

 

Creative Commons Attribution :

Creative Commons License
Indonesian Journal of Computational Biology by Universitas Padjadjaran is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License. Based on a work at http://jurnal.unpad.ac.id/ijcb/

Copyright © 2020 IJCB