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Journal : Indonesian Journal of Pharmaceutical Science and Technology

The Binding Mode and Molecular Dynamics of Epigallocatechin and Epigallocatechin Gallate with Human Superoxide Dismutase 1 in Complex with a Naphthalene-Catechol Linked Compound Levita, Jutti; Bawono, Lidya Cahyo; Khairinisa, Miski Aghnia; Jiranusornkul, Supat; Megantara, Sandra; Ikhsan, Muhammad
Indonesian Journal of Pharmaceutical Science and Technology Vol 11, No 1 (2024)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v11i1.51034

Abstract

Superoxide dismutases (SODs) are metalloenzymes that defend the body against reactive oxygen species and contribute to combating inflammation. Human cells have three distinct SODs, i.e., manganese SOD (MnSOD), extracellular SOD(ECSOD), and copper-zinc SOD (Cu-ZnSOD) or SOD1. The crystal structure of human SOD1 in a complex with a naphthalene-catechol-linked compound revealed hydrogen bonds and hydrophobic interaction. Catechins arepolyhydroxylated polyphenols contained in the leaves of Camellia sinensis L. This work aims to study the binding mode and molecular dynamics of two major catechins, epigallocatechin (EGC) and epigallocatechin gallate (EGCG) with human SOD1 (in complex with SBL1, a naphthalene-catechol linked compound). Both catechins demonstrated a binding mode with the enzyme, in terms of hydrogen bonds and hydrophobic interaction, similar to the native ligand (SBL1). Of the two catechins, EGC possesses a better binding affinity (docking score of -4.15 kcal/mol) for human SOD1 compared to EGCG (docking score of -4.02 kcal/mol), thus the EGC-SOD1 complex was continued in MD simulation to investigate the conformational stability and time-dependent ligand binding ability in the binding pocket. The molecular dynamics simulation confirmed that EGC is more stable than the native ligand, SBL1, with the RMSD average value of SBL1 and EGC being 1.1669 Å and 0.5607 Å, respectively. Taken together, this study confirms the antioxidant activity of catechins in C. sinensis L.
Hypoglycaemic Properties of The Combination of Roselle Calyx (Hibiscus sabdariffa Linn.) and Stevia Leaves (Stevia rebaudiana B.) in Alloxan-Induced White Rats Febriyanti, Raden Maya; Putri, Refitha Nurul; Diantini, Ajeng; Levita, Jutti
Indonesian Journal of Pharmaceutical Science and Technology Vol 12 (2025): Vol. 12 Suppl. 2 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12s2.59646

Abstract

Roselle (Hibiscus sabdariffa L.) and stevia (Stevia rebaudiana Bertoni) are known to contain phenolic compounds and flavonoids that act as antioxidants and are beneficial in lowering blood sugar levels. This study aimed to determine the phytochemical content and evaluate the hypoglycemic effects of a combined aqueous extract of H. sabdariffa and S. rebaudiana in a 3:1 ratio on diabetic rats. Aqueous extracts were prepared and analyzed for total phenolic and flavonoid contents using the Folin-Ciocalteu and aluminum chloride methods. Diabetes was induced in male Wistar rats by intraperitoneal injection of alloxan (235 mg/kgBW). Rats in the test groups received 500 or 1000 mg/kgBW of the combination, with blood glucose levels measured on the 0th, 7th, and 14th days post-treatment using a glucometer. H. sabdariffa, S. rebaudiana, and their combination contained total phenolic contents of 102.75, 188.053, and 118.856 mgGAE/g, respectively, and flavonoid contents of 3.099, 6.987, and 4.791 mgQE/g, subsequently. Administration of the combination extract at 1000 mg/kgBW showed the highest hypoglycemic effect, reducing blood glucose levels by 35.98% on the 14th day compared to the negative control (p<0.05). The combination of H. sabdariffa and S. rebaudiana extracts demonstrates significant hypoglycemic activity, attributed to their phenolic and flavonoid content.
Effects of pH on the Stability of Monascus purpureus Red Yeast IR-64 Rice (MpRYR) Extract Shaleha, Resha Resmawati; Yuliana, Anna; amin, Saeful; Sumiwi, Sri Adi; Levita, Jutti
Indonesian Journal of Pharmaceutical Science and Technology Vol 12, No 2 (2025)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i2.59599

Abstract

Monascus purpureus red yeast rice (MpRYR), popularly known as angkak, is a Chinese fermented rice health product. The red pigments and monacolin K contained in MpRYR are sensitive to various factors, including acidity, temperature, oxidation, and light; thus, MpRYR is unstable and susceptible to damage during storage and processing. It was reported that monacolin K in red yeast rice solution was easily degraded under thermal treatment at 85–121°C, and the absorbance of MpRYR extract increased at an alkaline pH. This work aimed to study the effects of pH on the stability of pigment extract  MpRYR. MPRYR was purchased from Raja Godhong herbal supplier and extracted with 70% ethanol for 3 × 24 h. The resulting MpRYR extracts were subjected to various pH conditions, and the pH and absorbance were measured, and the degradation rate of MpRYR extracts was calculated. The initial pH of MpRYR extract is 5.75, which increased to 5.97 (+3.82%) at 3 h. The MpRYR extract was more stable in an acidic medium with a degradation rate of 3.80% at 3 h. Research results suggest that acidic conditions are preferable for storing and formulating MpRYR-based products to preserve their functional efficacy.
Co-Authors A. Diantini - A. Mutalib - Abdul Mutalib Abdul Mutalib Abdul Mutholib Achmad Al Baihaqi Ade Zuhrotun Agung Karuniawan Ahmad Muhtadi AINAA HAZIRAH SHAMSUL ANUAR AJENG DIANTINI Ajeng Diantini, Ajeng Amalia, Riezki Ami Rahmati Syadiah Anas Subarnas Anas Subarnas Anggraeni, Sra R. Anis Khoirunisa Anis Khoirunisa, Anis Anis Yohana Chaerunisaa Anisa Pebiansyah Anna Yuliana, Anna Ardiansyah, Fahriza As&#039;ari Nawawi As'ari Nawawi As’ari Nawawi Aulifa, Diah L. Batari A. Larasati Bawono, Lidya Cahyo Billy Dwi Saputra Cahya Nova A. Chyntia R. Wijaya Dani Sujana Debby Ustari Diah Lia Aulifa DIANTINI, AJENG - Diina, Tresnafuty Rasyiida Dina Mulyana Syafitri DINA SEMBIRING Dinny Andriany Dinny Andriany, Dinny Dolih Gozali DOLIH GOZALI Driyanti Rahayu Driyanti Rahayu Dwi Lestari Sulistyaningsih Eli Halimah Eli Halimah, Eli Ellin Febrina Ellin Febrina Ellin Febrina Ellin Febrina Enade P. Istyastono Ervita Indriani Fara Warhead Fara Warhead, Fara Fathurrahmi Fathurrahmi Fattah, Miswar Fauzan Fikri Febrina Amelia Saputri Fikri, Fauzan Firdha S Maelaningsih Firdha S Maelaningsih, Firdha S Gofarana Wilar Herawati, Irma E. HILMA AWALIA RAHMAH Ida Musfiroh Ida Musfiroh - Ika WAHYUNI Imam A. Wicaksono Indah Suasani Wahyuni Indah Suasani Wahyuni INDRIANI, ERVITA Indriyanti R. Sukmana Irma Erika Herawati Irma Erika Herawati Irma Erika Herawati Irma Erika Herawati Irma M. Puspitasari, Irma M. Irma Melyani Puspitasari Irma Meylani Puspitasari Iwan J. P. de Esch IYAN RIFKY HIDAYAT Jennifer Kolina Jiranusornkul, Supat Jopi Arpina Kee P. Shan Keri Lestari Khairinisa, Miski Aghnia Khoziah Ahmad, Khoziah KIKI IKRIMA Kolina, Jennifer Marline Abdassah Marline Abdassah Marline Abdassah, Marline Maryam Hasymia Ishmatullah Masripah Masripah Masripah MEGANTARA, SANDRA Megantara, Sandra Meigita Indah Farkhani Ming, Wong Chun Miswar Fattah Mochamad Rizal Moelyono Moektiwardoyo Moelyono Moektiwardoyo, Moelyono Monika Novryanti Monika Novryanti, Monika Muchtaridi Muchtaridi Muhammad Ikhsan Muhammad Ryan Radix Rahardhian Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Mutakin Nawawi, Asari Nela - Simanjuntak Nuraeni Nuraeni Nurdjanah Azinar Nyi M. Saptarini Nyi M. Saptarini Nyi M. Saptarini Nyi Mekar Saptarini Pratidina, Malfa Laila Putri, Refitha Nurul Raden Maya Febriyanti Renny Amelia Renyiska Yula Resha Resmawati Shaleha Resmi Mustarichie Ridwan, Hanna Salwa Riezki Amalia Riezki Amalia Riezki Amalia Riezki Amalia Rini Daud Supu Rini Hendriani Ronny Lesmana Rosdianto, Aziiz M. Rusdianto, Aziiz M. Saeful Amin, Saeful Saptarini, Nyi M. Shaleha, Resha Resmawati Shan, Kee P. Shelvy E Suherman Shelvy E Suherman Shelvy E Suherman, Shelvy E Sitepu, Rini Daud Slamet Ibrahim Slamet Ibrahim Slamet Ibrahim Slamet Ibrahim Slamet Ibrahim Sofa D. Alfian Sofa D. Alfian, Sofa D. Sohadi Warya Sohadi Warya Sra R. Anggraeni Sri A. Sumiwi Sri Adi Sumiwi Sri Adi Sumiwi Sriwidodo Sriwidodo STEFANNY AGNES SALIM Steffi Liem Steffi Liem Sukmana, Indriyanti R. Sumiwi, Sri A. Sumiwi, Sri A. Supriyatna ., Supriyatna Susilawati, Elis Syadiah, Ami Rahmati Syafrudin Purnama Sidiq, Syafrudin Purnama Tarkus Suganda Tenri Noviardani Tenri Noviardani, Tenri TIANA MILANDA Tina Rostinawati Tresnafuty Rasyiida Diina Trixie A. Ulimaz Ulfinana Hafni Vergel Concibido Virda Aziza Wahyuni, Indah S. Wijaya, Chyntia R. Winarni, Rina Wiwiek Indriyati - Wong Chun Ming Yasmiwar Susilawati Yogiyanto Yogiyanto Yudha Prabowo Yuli Andriani Yulin Prisdiany ZAHRA DZAKIRAH ABNAZ Zain, Dichy Nuryadin ZELIKA MEGA RAMADHANIA