Prediction Potential Chlorogenic Acid As Inhibitor Ace (In Silico Study)

Bare, Yohanes; Sari, Dewi Ratihtirto; Rachmad, Yoga Tribakti; Tiring, Sri Sulistya Natalia Daeng; Rophi, Apriani Herni; Nugraha, Fitra Arya Dwi

doi:10.24036/0201932105856-0-00

Cited by 8 publications

(9 citation statements)

References 11 publications

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“…Through this interaction, the angiotensin I metamorphosis into angiotensin II received approval for the ACE block activity. Chlorogenic acid has the potential to be used to treat hypertension (Bare et al, 2019).…”

Section: Phenolic Acidsmentioning

confidence: 99%

Natural angiotensin converting enzyme inhibitors: A safeguard against hypertension, respiratory distress syndrome, and chronic kidney diseases

Khaled,

Ahmed,

Mamdouh

et al. 2023

Phytotherapy Research

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Hypertension is a serious concern as it is one of the causes of kideny failure and pulmonary fibrosis. An important therapeutic strategy for treating chronic hypertension is to inhibit the angiotensin converting enzyme (ACE). ACE inhibition reduces kidney damage, pulmonary artery pressure, and high blood pressure. Due to their high efficacy and low risk of side effects, natural renin‐angiotensin system inhibitors have drawn increasing attention over the past decades. Alkaloids, amino acids, anthocyanidins, flavonoids, glucosinolates, isoflavonoids, phenolic acids, polyphenolics, and triterpenoids are among the bioactive metabolites pocessing an impressive ACE inhibitory activity. Many herbs including Rosmarinus officinalis, Hibiscus sabdariffa, Curcuma longa, Rauwolfia serpentina, Emblica officinalis, Cynara scolymus, Punica granatum, Mucuna pruriens, Capsicum annuum, and Moringa olifera were found having ACE inhibitory activities comparable to captopril and enalpril. These enticing natural ACE inhibitors deserve to be a safeguard medicine against hypertension, respiratory distress syndrome, and chronic kidney diseases. More clinical trials are required before new natural compounds and herbs can be used to treat chronic hypertension and its ramifications, such as respiratory distress syndrome and kidney failure.

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Section: Phenolic Acidsmentioning

confidence: 99%

Natural angiotensin converting enzyme inhibitors: A safeguard against hypertension, respiratory distress syndrome, and chronic kidney diseases

Khaled,

Ahmed,

Mamdouh

et al. 2023

Phytotherapy Research

View full text Add to dashboard Cite

show abstract

“…Rempah jahe dilaporkan berpotensi sebagai antiinflamasi, antihipertensi, dan antidiabetes (Elshamy et al, 2019;Mao et al, 2019;Rophi et al, 2021;S et al, 2020;. Selain itu, penelitian sebelumnya telah melaporkan manfaat kopi yang dapat digunakan untuk antiobesitas, antidiabetes, antihipertensi dan Jurnal Ilmiah Medicamento • Vol.8 No.1 • tahun 2022 https://medicamento.unmas.ac.id [15] antiinflamasi (Bare et al, 2019(Bare et al, , 2020. Eksplorasi serai juga dilaporkan dapat mencegah alzheimer dan memiliki potensi anti inflamasi (Bare, 2021;.…”

Section: Pendahuluanunclassified

Interaction Phloroglucinol as inflammation therapy through Cyclooxygenase-2 (COX-2) gene inhibition

Bare

2022

JINTO

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Exploration of natural compounds is one of the projects in the context of curving disease, one of which is inflammatory therapy in the body, one of the natural ingredients used is Phloroglucinol which has anti-inflammatory properties but there is no information on molecular studies related to its activity. The purpose of this study was to explore the potential of Phloroglucinol as an anti-inflammatory mechanism. Phloroglucinol compound (CID 359) was downloaded from the PubChem Protein COX-2 database (PDB ID 6cox) downloaded from the Protein Data Bank database. The compound Phloroglucinol interacted with the Molegro virtual Docker 5 program with Grid docking X 66,44; Y 27.44; Z 107.23. The docking results were analyzed using Discovery Studio software ver 21.1.1. The results showed that Phloroglucinol binds to five COX-2 amino acid residues and may inhibit COX-2 performance and can be a strong candidate for inflammatory therapy when inflammation occurs. in the human body. The conclusion of this study is that Phloroglucinol compounds have the potential in inhibiting COX-2 (inflammatory mediators).

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“…Furthermore, all binding energy showed low binding energy and varied interactions. Previous reports stated that low binding energy indicated tight ligand-protein interaction, and various interactions, including hydrophobic and hydrogen bonds, contributed to the binding energy calculations [27][28][29][30][31].…”

Section: Interaction Of Bioactive Compounds In S Myrtifolium With Tra...mentioning

confidence: 99%

IN SILICO SCREENING OF Syzygium myrtifolium FLAVONOID COMPOUNDS AS ANTI-BACTERIAL ACTIVITY

Permatasari

Witoyo²,

Masruri³

et al. 2022

J.Trop Life Science

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Bacterial infection and antibiotic resistance are popular issues nowadays. Several previous reports performed antibacterial screening activities involving natural herbs and synthetic drugs. Alanine racemase and transglycosylase are essential proteins for peptidoglycan membrane synthesis in bacteria and an alternative target for antibacterial performance. This study identified six flavonoid compounds in Syzygium myrtifolium to perform the antibacterial activity. In silico study was conducted for modelling flavonoids – protein complexes. Five flavonoids from S. myrtifolium were taken out of the canonical smiles from the PubChem database and modelled three-dimensional structure using ChemDraw and molView. Targeted protein, alanine racemase and transglycosylase were downloaded from Protein Data Bank with ID 4WR3 and 1SLY. Ligands and proteins were interacted by Molegro virtual Docker 5.0 and visualized by Discovery studio version 21.1.1. Five flavonoids showed inhibition with alanine racemase and transglycosylase in the same active sites of control and sodium benzoate. According to the binding energy, calopiptin performed the lowest binding energy value in alanine racemase complexes, while 2-Propanone, 1,3-bis(5-nitro-2-furanyl) showed the lowest value of four other flavonoids at transglycosylase complexes. The type of interactions were electrostatic, hydrogen bonds, hydrophobic interactions and unfavorable ones. Low binding energy and varied interaction types indicated tight of ligand-protein interaction. In summary, five flavonoids inhibited alanine racemase and transglycosylase, and the peptidoglycane membrane synthesis in bacteria might be inferred. Keywords: Alanine racemase, Flavonoids, In silico, Transglycosylase

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Prediction Potential Chlorogenic Acid As Inhibitor Ace (In Silico Study)

Cited by 8 publications

References 11 publications

Natural angiotensin converting enzyme inhibitors: A safeguard against hypertension, respiratory distress syndrome, and chronic kidney diseases

Natural angiotensin converting enzyme inhibitors: A safeguard against hypertension, respiratory distress syndrome, and chronic kidney diseases

Interaction Phloroglucinol as inflammation therapy through Cyclooxygenase-2 (COX-2) gene inhibition

IN SILICO SCREENING OF Syzygium myrtifolium FLAVONOID COMPOUNDS AS ANTI-BACTERIAL ACTIVITY

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