In Silico Study of Corn Silk Luteolin (Zea mays L.) Derivatives as Potential Antihypertensive Agents

Richa Mardianingrum; Yuli Firiani; Srie Rezeki Nur Endah; Ruswanto Ruswanto

doi:10.14710/jksa.28.3.155-167

DOI: https://doi.org/10.14710/jksa.28.3.155-167

In Silico Study of Corn Silk Luteolin (Zea mays L.) Derivatives as Potential Antihypertensive Agents

Richa Mardianingrum¹

, Yuli Firiani¹, Srie Rezeki Nur Endah¹

, Ruswanto Ruswanto²

¹Department of Pharmacy, Faculty of Health Sciences, Perjuangan University, Tasikmalaya, Indonesia

²Faculty of Pharmacy, Universitas Bakti Tunas Husada, Tasikmalaya, Indonesia

Received: 4 Dec 2024; Revised: 13 Apr 2025; Accepted: 15 Apr 2025; Published: 30 Apr 2025.

BibTex Citation Data :

@article{JKSA68660,
    author = {Richa Mardianingrum and Yuli Firiani and Srie Rezeki Nur Endah and Ruswanto Ruswanto},
    title = {In Silico Study of Corn Silk Luteolin (Zea mays L.) Derivatives as Potential Antihypertensive Agents},
    journal = {Jurnal Kimia Sains dan Aplikasi},
  volume = {28},
    number = {3},
    year = {2025},
    keywords = {antihypertensive; angiotensin; in silico; lisinopril; Zea mays L.},
    abstract = {Hypertension is a condition where the systolic blood pressure is > 140 mmHg and the diastolic pressure is > 90 mmHg. Hypertension is caused by the formation of Angiotensin II from Angiotensin I by Angiotensin Converting Enzyme (ACE). Lisinopril is one of the drugs commonly used to treat hypertension; however, long-term use may be associated with carcinogenic effects. This study aims to find candidates for new medicinal ingredients from luteolin derivative compounds contained in corn silk ( Zea mays  L.) as antihypertensives that have the activity of inhibiting ACE enzymes. Molecular docking and molecular dynamics simulations were employed in this study. The results showed that the TL59 compound exhibited lower predicted toxicity than lisinopril. Based on molecular dynamics analysis, TL59 demonstrated an RMSD value of 1 Å and a ΔG TOTAL  of –44.65 kcal/mol, whereas lisinopril showed an RMSD value of 1.3 Å and a ΔG TOTAL  of –29.25 kcal/mol. These findings suggest TL59 has a higher binding affinity and greater stability toward the 1O86 receptor than lisinopril. Therefore, TL59 is predicted to be a promising candidate for a new antihypertensive drug that inhibits the conversion of Angiotensin I to Angiotensin II. In conclusion, TL59 demonstrates strong binding affinity and pharmacokinetic properties, indicating its potential as a promising antihypertensive candidate. However, this study is limited to in silico analysis and requires further in vitro and in vivo validation to confirm its efficacy and safety.},
   issn = {2597-9914},   pages = {155--167}  doi = {10.14710/jksa.28.3.155-167},
    url = {https://ejournal.undip.ac.id/index.php/ksa/article/view/68660}
}

Citation Format:

Abstract

Hypertension is a condition where the systolic blood pressure is > 140 mmHg and the diastolic pressure is > 90 mmHg. Hypertension is caused by the formation of Angiotensin II from Angiotensin I by Angiotensin Converting Enzyme (ACE). Lisinopril is one of the drugs commonly used to treat hypertension; however, long-term use may be associated with carcinogenic effects. This study aims to find candidates for new medicinal ingredients from luteolin derivative compounds contained in corn silk (Zea mays L.) as antihypertensives that have the activity of inhibiting ACE enzymes. Molecular docking and molecular dynamics simulations were employed in this study. The results showed that the TL59 compound exhibited lower predicted toxicity than lisinopril. Based on molecular dynamics analysis, TL59 demonstrated an RMSD value of 1 Å and a ΔG_TOTAL of –44.65 kcal/mol, whereas lisinopril showed an RMSD value of 1.3 Å and a ΔG_TOTAL of –29.25 kcal/mol. These findings suggest TL59 has a higher binding affinity and greater stability toward the 1O86 receptor than lisinopril. Therefore, TL59 is predicted to be a promising candidate for a new antihypertensive drug that inhibits the conversion of Angiotensin I to Angiotensin II. In conclusion, TL59 demonstrates strong binding affinity and pharmacokinetic properties, indicating its potential as a promising antihypertensive candidate. However, this study is limited to in silico analysis and requires further in vitro and in vivo validation to confirm its efficacy and safety.

Fulltext View|Download

Keywords: antihypertensive; angiotensin; in silico; lisinopril; Zea mays L.

Article Metrics:

Article Info

Section: Research Articles

Language : EN

In Vol 28, No 3 (2025): Volume 28 Issue 3 Year 2025

Recent articles

The Potency of Noni Leaves Extract (Morinda citrifolia L.) as a Bioreductor in the Synthesis of Copper Nanoparticles and Its Effectiveness as an Antibacterial against Streptococcus pyogenes Synthesis, Structure, Hirshfeld Surface Analysis, and Antibacterial Activity of [Ni(3-NH₂py)₄Cl₂] Complex (3-NH₂py = 3-aminopyridine) Unraveling the Density and Hardness of Sintered Hydroxyapatite: A Conclusive Comparison of Laboratory-Synthesized Versus Commercial Variants More recent articles

Most cited articles

Polimerisasi Eugenol Dengan Katalis Asam Sulfat Pekat Isolasi Bakteri Termofilik Sumber Air Panas Gedongsongo dengan Media Pengaya MB (Minimal Broth) dan TS (Taoge Sukrosa) serta Identifikasi Fenotip dan Genotip Removal of natural organic matter for wetland saline water desalination by coagulation-pervaporation Uji Aktivitas Antioksidan Senyawa Flavonoid dari Ekstrak Etanol Daun Johar (Senna siamea Lamk) Preparasi Katalis Zeolit Alam Asam sebagai Katalis dalam Proses Pirolisis Katalitik Polietilena More cited articles

Tori Rihiantoro, Muji Widodo, Hubungan Pola Makan dan Aktivitas Fisik dengan Kejadian Hipertensi di Kabupaten Tulang Bawang, Jurnal Ilmiah Keperawatan Sai Betik, 13, 2, (2017), 159-167 https://doi.org/10.26630/jkep.v13i2.924
World Health Organization, Hypertension, (2023), [accessed on 15 Feb 2022] https://www.who.int/news-room/fact-sheets/detail/hypertension
Kementerian Kesehatan RI, Hipertensi Penyebab Utama Penyakit Jantung, Gagal Ginjal, dan Stroke, (2021), [accessed on 18 Feb 2023]
Dinas Kesehatan Provinsi Jawa Barat, Profil Kesehatan Jawa Barat Tahun 2021, [accessed on 18 Feb 2023], (2021), 120-121 https://app-diskes.jabarprov.go.id/drive/s/P65z6fRg5sCrmzX
Anita Lufianti, Sutrisno Sutrisno, The Effectiveness Relaxation Therapy of Imagination Guided Reduction of Blood Pressure on Elderly With Hypertension in the Working Area Health Center Purwodadi 1 Grobogan Regency, Media Keperawatan Indonesia, 2, 2, (2019), 73-78 https://doi.org/10.26714/mki.2.2.2019.25-30
Putri Kristanti, Efektifitas dan Efek Samping Penggunaan Obat Antihipertensi Pada Pasien Hipertensi di Puskesmas Kalirungkut Surabaya, CALYPTRA: Jurnal Ilmiah Mahasiswa Universitas Surabaya, 4, 2, (2016), 1-13
Yance Anas, Naimi Amalia Hatimah, Efek antihipertensi ekstrak etanol kombinasi rambut dan biji jagung (Zea mays L.) pada tikus hipertensi yang diinduksi monosodium glutamat, Jurnal Ilmu Farmasi dan Farmasi Klinik, 15, 1, (2018), 29-36 https://doi.org/10.31942/jiffk.v15i01.2170
Kristover Koloay, Gayatri Citraningtyas, Widya Astuty Lolo, Uji efektivitas ekstrak etanol rambut jagung (Zea mays L.) terhadap penurunan kadar gula darah tikus putih jantan galur wistar (Rattus norvegicus L.) yang diinduksi aloksan, PHARMACON: Jurnal Farmasi Indonesia, 4, 3, (2015), 34-40
David Albert Pangemanan, Edi Suryanto, Paulina V. Y. Yamlean, Skrinning Fitokimia, Uji Aktivitas Antioksidan dan Tabir Surya pada Tanaman Jagung (Zea mays L.), PHARMACON, 9, 2, (2020), 194-204 https://doi.org/10.35799/pha.9.2020.29271
Ligia Guerrero, Julián Castillo, Mar Quiñones, Santiago Garcia-Vallvé, Lluis Arola, Gerard Pujadas, Begoña Muguerza, Inhibition of Angiotensin-Converting Enzyme Activity by Flavonoids: Structure-Activity Relationship Studies, PLOS ONE, 7, 11, (2012), e49493 https://doi.org/10.1371/journal.pone.0049493
Hendra Herman, Bayu Putra, Uji Antihipertensi Infus Kombinasi Biji dan Rambut Jagung (Zea mays L.) pada Tikus Jantan (Rattus norvegicus) dengan Metode Tail Cuff Non Invasive, Jurnal Media Farmasi, 12, 1, (2015), 93-103 https://doi.org/10.12928/mf.v12i1.3027
Gladys O. George, Faustina K. and Idu, Corn silk aqueous extracts and intraocular pressure of systemic and non‐systemic hypertensive subjects, Clinical and Experimental Optometry, 98, 2, (2015), 138-149 https://doi.org/10.1111/cxo.12240
Yance Anas, Ika Nilam Cahyani, Ulum Firnanda Sukma, Efektivitas Fraksi Aktif Ekstrak Etanol Labu Siam (Sechium Edule (Jack) Sw) Sebagai Antihipertensi Pada Tikus Hipertensi Yang Diinduksi Monosodium Glutamat, Jurnal Ilmu Farmasi dan Farmasi Klinik, 18, 01, (2021), 1-7 https://doi.org/10.31942/jiffk.v18i01.4893
Yohanes Bare, Andri Maulidi, Dewi Ratih Tirto Sari, Sri Sulystyaningsih Natalia Daeng Tiring, Studi in Silico Prediksi Potensi 6-Gingerol sebagai inhibitor c-Jun N-terminal kinases (JNK): Prediction Potential of 6-gingerol as c-Jun N-terminal kinases (JNK): In Silico approach, Jurnal Jejaring Matematika dan Sains, 1, 2, (2019), 59-63 https://doi.org/10.36873/jjms.v1i2.211
Ramanathan Natesh, Sylva L. U. Schwager, Edward D. Sturrock, K. Ravi Acharya, Crystal structure of the human angiotensin-converting enzyme–lisinopril complex, Nature, 421, 6922, (2003), 551-554 https://doi.org/10.1038/nature01370
Richa Mardianingrum, Kamiel Roesman Bachtiar, Susanti Susanti, Aas Nuraisah Aas Nuraisah, Ruswanto Ruswanto, Studi in silico senyawa 1, 4-Naphthalenedione-2-Ethyl-3-Hydroxy sebagai antiinflamasi dan antikanker payudara, ALCHEMY Jurnal Penelitian Kimia, 17, 1, (2021), 83-95 https://doi.org/10.20961/alchemy.17.1.43979.83-95
Susanti N. M. P., Warditiani N. K., Dewi K. A. S., Oka M., Aktivitas Antihiperlipidemia Andrografolid dari Sambiloto (Andrographis paniculata (Burm. f.) Ness) secara In Silico, Jurnal Farmasi Udayana, 5, 2, (2017), 58-62
Ruswanto Ruswanto, Richa Mardianingrum, Tresna Lestari, Tita Nofianti, Lilis Tuslinah, Dudi Nurmalik, In silico study of the active compounds in bitter melon (Momordica charantia L) as antidiabetic medication, Pharmaciana, 8, 2, (2018), 177-194
Kartika Juliana, Mohamad Amin, Endang Suarsini, Analisis Virtual Screening Senyawa Alami Anti Aging Kandidat Inhibitor Komplek Protein Mmp1, Prosiding SNPBS (Seminar Nasional Pendidikan Biologi dan Saintek), 2016
Rizka Amalia, Ruswanto Ruswanto, Molecular Dinamik Senyawa Turunan Benzimidazol Sebagai Inhibitor Kolinesterase, Prosiding Seminar Nasional dan Penelitian Kesehatan 2018, 2019
Fauzan Zein Muttaqin, Muhammad Ferdian Pratama, Fransiska Kurniawan, Molecular docking and molecular dynamic studies of stilbene derivative compounds as sirtuin-3 (SIRT3) histone deacetylase inhibitor on melanoma skin cancer and their toxicities prediction, Journal of Pharmacopolium, 2, 2, (2019), 112-121
I. R. Hartanti, A. A. Putri, N. N. Auliya AS, A. L. Triadenda, E. Laelasari, C. Suhandi, M. Muchtaridi, Molecular Docking Senyawa Xanton, Benzofenon, dan Triterpenoid sebagai Antidiabetes dari Ekstrak Tumbuhan Garcinia Cowa, Jurnal Kimia (Journal of Chemistry), 16, 1, (2022), 72-83 https://doi.org/10.24843/JCHEM.2022.v16.i01.p10
Muh Fitrah, Nurshalati Tahar, Husniar Husniar, Uji Toksisitas Fraksi Daun Pedada (Sonneratia caseolaris L.) Tehadap Larva Udang (Artemia salina leach) dengan Menggunakan Metode Brine Shrimp Lethality Test (BSLT), Parapemikir: Jurnal Ilmiah Farmasi, 7, 1, (2018), 181-186 https://doi.org/10.30591/pjif.v7i1.739
Ruswanto Ruswanto, Mardhiah Mardhiah, Richa Mardianingrum, Korry Novitriani, Sintesis dan Studi In Silico Senyawa 3-Nitro-N'-[(Pyridin-4-Yl) Carbonyl] Benzohydrazide sebagai Kandidat Antituberkulosis, Chimica et Natura Acta, 3, 2, (2015), 54-61 https://doi.org/10.24198/cna.v3.n2.9183
Christopher A. Lipinski, Lead-and drug-like compounds: the rule-of-five revolution, Drug Discovery Today: Technologies, 1, 4, (2004), 337-341 https://doi.org/10.1016/j.ddtec.2004.11.007
Karisma Enggar Saputri, Nurul Fakhmi, Erwinda Kusumaningtyas, Dedy Priyatama, Broto Santoso, Docking molekular potensi anti diabetes melitus tipe 2 turunan zerumbon sebagai inhibitor aldosa reduktase dengan autodock-vina, Chimica et Natura Acta, 4, 1, (2016), 16-20 https://doi.org/10.24198/cna.v4.n1.10443
Arwansyah Arwansyah, Laksmi Ambarsari, Tony I. Sumaryada, Simulasi docking senyawa kurkumin dan analognya sebagai inhibitor reseptor androgen pada kanker prostat, Current Biochemistry, 1, 1, (2014), 11-19
Puji Astuty, Noer Komari, Kajian Molecular Docking Senyawa Karwinaphthol B dari Tanaman Bawang Dayak (Eleutherine palmifolia (L.) Merr) sebagai Inhibitor Enzim Glukokinase, Jurnal Natural Scientiae, 2, 1, (2022), 01-09 https://doi.org/10.20527/jns.v2i1.5412
Oyinlola Oluwunmi Olaokun, Sizakele Annousca Manonga, Muhammad Sulaiman Zubair, Saipul Maulana, Nqobile Monate Mkolo, Molecular Docking and Molecular Dynamics Studies of Antidiabetic Phenolic Compound Isolated from Leaf Extract of Englerophytum magalismontanum (Sond.) T.D.Penn, Molecules, 27, 10, (2022), 3175 https://doi.org/10.3390/molecules27103175
G. Lizbeth Ramírez-Salinas, Jazmín García-Machorro, Saúl Rojas-Hernández, Rafael Campos-Rodríguez, Arturo Contis-Montes de Oca, Miguel Medina Gomez, Rocío Luciano, Mirko Zimic, José Correa-Basurto, Bioinformatics design and experimental validation of influenza A virus multi-epitopes that induce neutralizing antibodies, Archives of Virology, 165, 4, (2020), 891-911 https://doi.org/10.1007/s00705-020-04537-2
Wilbert S. Aronow, Jerome L. Fleg, Carl J. Pepine, Nancy T. Artinian, George Bakris, Alan S. Brown, Keith C. Ferdinand, Mary Ann Forciea, William H. Frishman, Cheryl Jaigobin, John B. Kostis, Giuseppi Mancia, Suzanne Oparil, Eduardo Ortiz, Efrain Reisin, Michael W. Rich, Douglas D. Schocken, Michael A. Weber, Deborah J. Wesley, ACCF/AHA 2011 Expert Consensus Document on Hypertension in the Elderly, Circulation, 123, 21, (2011), 2434-2506 https://doi.org/10.1161/CIR.0b013e31821daaf6

Last update:

No citation recorded.

Last update: 2025-05-22 21:36:52

No citation recorded.

As an article writer, the author has the right to use their articles for various purposes, including use by institutions that employ authors or institutions that provide funding for research. Author rights are granted without special permission.

Author who publishes a paper at JKSA has the broad right to use their work for teaching and scientific purposes without the need to ask permission, including: used for (i) teaching in the author's class or institution, (ii) presentation at meetings or conferences and distributing copies to participants ; (iii) training conducted by the author or author's institution; (iv) distribution to colleagues for research use; (v) use in the compilation of subsequent authors' works; (vi) inclusion in a thesis or dissertation; (vi) reuse of part of the article in another work (with citation); (vii) preparation of derivative works (with citation); (viii) voluntary posting on open websites operated by authors or author institutions for scientific purposes (follow the CC BY-SA License).

Authors and readers can copy and redistribute material in any media or format, and mix, modify, and build material for any purpose but they must provide appropriate credit (provide article citation or content), providing links to the license, and indicate if there are changes.

The authors submitting a manuscript do so on the understanding that if accepted for publication, copyright of the article shall be assigned to Jurnal Kimia Sains dan Aplikasi (JKSA). Copyright encompasses rights to reproduce and deliver the article in all form and media, including reprints, photographs, microfilms and any other similar reproductions, as well as translations.

Reproduce any part of this journal, its storage in the database or its transmission by all forms or media is permitted does not need for written permission from JKSA. However, it should be cited as an honor in academic manners

JKSA and the Chemistry Department of Diponegoro University and the Editor make every effort to ensure that there are no data, opinions, or false or misleading statements published in JKSA. However, the content of the article is the sole and exclusive responsibility of each author.

The Copyright Transfer Form can be downloaded here: [Copyright Transfer Form - Indonesian] [Copyright Transfer Form - English]. The copyright form should be signed originally and send to the Editor in the form of printed letters, scanned documents sent via email or fax.

Adi Darmawan, Ph.D (Editor in Chief)

Editor in chief of Jurnal Kimia Sains dan Aplikasi (JKSA)

Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Jl. Prof. Soedarto, Kampus Undip Tembalang, Semarang, Central Java, Indonesia 50275
Email: jksa@live.undip.ac.id