skip to main content

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

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.
Open Access Copyright 2025 Jurnal Kimia Sains dan Aplikasi under http://creativecommons.org/licenses/by-sa/4.0.

Citation Format:
Cover Image
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 ΔGTOTAL of –44.65 kcal/mol, whereas lisinopril showed an RMSD value of 1.3 Å and a ΔGTOTAL 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:

  1. 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
  2. World Health Organization, Hypertension, (2023), [accessed on 15 Feb 2022] https://www.who.int/news-room/fact-sheets/detail/hypertension
  3. Kementerian Kesehatan RI, Hipertensi Penyebab Utama Penyakit Jantung, Gagal Ginjal, dan Stroke, (2021), [accessed on 18 Feb 2023]
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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
  19. 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
  20. Rizka Amalia, Ruswanto Ruswanto, Molecular Dinamik Senyawa Turunan Benzimidazol Sebagai Inhibitor Kolinesterase, Prosiding Seminar Nasional dan Penelitian Kesehatan 2018, 2019
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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: 2025-05-03 03:39:24

No citation recorded.