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All Journal HAYATI Journal of Biosciences Jurnal Agronomi Indonesia (Indonesian Journal of Agronomy) Jurnal Gizi dan Pangan Jurnal Fitopatologi Indonesia Jurnal Teknologi Dan Industri Pangan Jurnal Akuakultur Indonesia CHEMISTRY PROGRESS Jurnal Pendidikan Bahasa dan Sastra Indonesia Undiksha Microbiology Indonesia BIOTROPIA - The Southeast Asian Journal of Tropical Biology Current Biochemistry The Journal of Pure and Applied Chemistry Research Indonesian Journal of Biotechnology BERITA BIOLOGI ANNALES BOGORIENSES FITOFARMAKA: Jurnal Ilmiah Farmasi Menara Perkebunan Jurnal Jamu Indonesia Sainstek : Jurnal Sains dan Teknologi Jurnal Pusat Inovasi Masyarakat Journal of Health and Nutrition Research Jurnal Ilmu Kehutanan Molekul: Jurnal Ilmiah Kimia Journal of The Indonesian Society of Integrated Chemistry Indonesian Journal of Jamu Annales Bogorienses
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Department Of Biochemistry, Faculty Of Mathematics And Natural Sciences, Darmaga Campus, IPB University, Bogor, 16680, Indonesia
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Social Sciences Veterinary Other

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MOLECULAR DOCKING ANALYSIS OF SELECTED CURCUMA XANTHORRHIZA CONSTITUENTS AS POTENTIAL ANTICANCER DRUG Endang Zainal Hasan, Akhmad; Artika, I Made; Suryani; Luthfi Ramadhani, Dhani
BIOTROPIA Vol. 30 No. 1 (2023): BIOTROPIA Vol. 30 No. 1 April 2023
Publisher : SEAMEO BIOTROP

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11598/btb.2023.30.1.1386

Abstract

Stress conditions will trigger the histone hyperacetylation process due to histone acetyltransferase p300/CBP (HAT PCAF) constantly transfers acetyl groups from acetyl-CoA to conserved lysine residues on histone proteins to form ε-N-acetyllysine. This can be a cause of cancer. The purpose of this study was to investigate the potential mechanisms and inhibition of PCAF HAT by chemical components of C. xanthorrhiza namely, curcumin, demethoxycurcumin, bisdemethoxycurcumin, and xanthorrizhol using in silico, the molecular docking method.  Results showed that the components of C. xanthorrhiza as ligands have the capability to inhibit the binding of acetyl-CoA to histone. These results can be used to predict the inhibitory mechanisms exhibited by C. xanthorrhiza components, as competitive and noncompetitive substances. We hypothesize that C. xanthorrhiza components resemble a substrate, leading to prevention of the natural substrate (histone) to bind to the enzyme, and hence block the product formation. The smallest free Gibs energy was exhibited by curcumin on chain B and by bismethoxycurcumin on chain A, with values of -8.8 and -8.4 Kcal/mol, respectively.
Metabolite Profiling Differences of Single and Physical Mixture of Moringa Leaves (Moringa oleifera) and Red Galangal (Alpinia purpurata (Vieill) K. Schum) Simbolon, Martina; Rimbawan, Rimbawan; Roosita, Kartin; Artika, I Made
Journal of Health and Nutrition Research Vol. 5 No. 1 (2026)
Publisher : Media Publikasi Cendekia Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.56303/jhnresearch.v5i1.962

Abstract

econdary metabolites are bioactive plant constituents that contribute to antioxidant, anti-inflammatory, and anti-microbial activities, making them valuable for functional food and nutraceuticals applications. This study aimed to characterize the secondary metabolites present in powdered Moringa oleifera leaves, red galangal (Alpinia purpurata (Vieill) K. Schum) rhizomes, and their combination. The 85:15 ratio used in the mixed powder was selected based on preliminary material composition considerations. Metabolite identification was conducted using Ultra High Performance Liquid Chromatography Tandem High Resolution Mass Spectrometry (UHPLC-HRMS). Data processing and compound annotation were performed using ChemSpider and mzCloud. A total of 21 metabolites were identified in moringa leaf powder, 16 compounds in red galangal rhizome, and 17 compounds in the combined preparation. Flavonoid were the dominant class in moringa leaves with quercitrin, 4-aminobenzoid acids, and pheophorbide A as the most abundant constituents. In contrast, phenolic compounds, particularly benzoic derivatives were predominant in red galangal, where menadiol, abietin, and sweroside were the major metabolites. The combined formulation retained key constituents from both plants, including cinnamaldehyde, 4-aminobenzoic acid, and pheophorbide A, and additionally showed an increased level of nictoflorin. These findings provide preliminary compositional evidence demostrating the distinct and complementary phytochemical profiles of moringa leaves and red galangal rhizomes. This information may guide future studies into potential functional food or nutraceutical formulations for further validation through bioactivity, bioavailability, and interaction studies.
The role of astaxanthin‐Cu2+ in stabilizing glycated human serum albumin for type 2 diabetes mellitus management: a computational approach Abiyyu, Naufal; Fitrianita, Alfia; Artika, I Made; Siregar, Josephine Elizabeth; Wibowo, Syahputra; Wardhani, Bantari Wisynu Kusuma; Budi, Canggih Setya; Nuringtyas, Tri Rini
Indonesian Journal of Biotechnology Vol 31, No 1 (2026)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijbiotech.109830

Abstract

Type 2 diabetes mellitus (T2DM) leads to the non‐enzymatic glycation of proteins, resulting in the formation of advanced glycation end products (AGEs), which contribute to diabetic complications. Human serum albumin (HSA), a major plasma protein, undergoes structural alterations upon glycation (gHSA), reducing its stability and biological functions. Astaxanthin (ASX), a potent antioxidant, is limited by its instability and moderate binding affinity. In this study, we explore the use of copper (Cu2+) to form a stable ASX‐Cu2+ complex, enhancing the antioxidant properties of ASX and improving its interaction with HSA and gHSA. Utilizing computational approaches such as molecular docking, molecular dynamics (MD) simulations, and free energy landscape (FEL) mapping, we analyze the stability and conformational changes of HSA and gHSA upon binding with ASX and ASX‐Cu2+. The residue interaction network (RIN) analysis reveals that ASX‐Cu2+ complexes create a more robust and interconnected network of non‐covalent interactions, particularly enhancing hydrogen bonding, π‐stacking, and ionic interactions. The ASX‐Cu2+ complex at a 1:2 molar ratio significantly improved the binding affinity and structural stability of both native and glycated HSA, reducing protein fluctuations and promoting a more compact conformation. These findings suggest that ASX‐Cu2+ complexes offer therapeutic potential for stabilizing albumin under glycation‐induced stress, with implications for managing oxidative stress and diabetes‐related complications.
Co-Authors . SURYANI A. E. Zainal Hasan AA Sudharmawan, AA Abdillah, Ramadhani Malik Abdul Choliq ABIYYU, NAUFAL ADINDA VIRGINIA DWI SETYO Agung Eru Wibowo Agung Eru Wibowo AHMAD ENDANG ZAINAL HASAN AHMAD ENDANG ZAINAL HASAN Ahmad Sulaeman Akhmad Endang Zainal Hasan Amanda, Nisa Widya AMIN FATONI Andani, Gita Putri Andita Fitri Mutiara Rizki, Andita Fitri Mutiara Antonius Padua Ratu Apipah Aprianti Apon Zaenal Mustopa APON ZAENAL MUSTOPA Arya Arendra Asri Sulfianti Azmi Azhari Azmi Azhari, Azmi Azmi, Wihda Aisarul BUGI RATNO BUDIARTO Canggih Setya Budi DEDI JUSADI Denny Irawati Desi Purwaningsih Dewi Sukma DIMAS ANDRIANTO Djarot Sasongko Hami Seno Dodi Safari Dodi Safari Dodi Safari Dodi Safari Dwi N. Susilowati Dzihan Dinar Rabani Eliza Halim Erismar Amri Erlank Bagjavicenna Erna Puspasari Evi Nur Qolbaini Fatriani, Rizka Fina Febrianti Firda DIMAWARNITA Firdausy, Iman Akhyar Firmansyah, Ridwan Putra Fitrianita, Alfia Fri Rahmawati Gholam, Gusnia Meilin Gita Putri Andani Gusnia Meilin Gholam H. A. E. Zainal Hasan Hani 'Athiyya Rafi Hardinsyah Harsana, Ngurah HARTUTIK EKA SUSANTI HARYANTO SUSILO Hasim - HASIM DANURI Hayatul Rahmi Herti Sugiarti Herti Sugiarti, Herti Hyakansa HANIF Ifa Manzila Iman Rusmana Inawati Inawati Irsal, Riyan Alifbi Putera Jajang Suhyana K, Popi A kurnia agustini Kurnia Agustini Laita Nurjanah Laita Nurjanah, Laita LAKSMI AMBARSARI Lasmiyanti, Metty Lusiana Kresnawati Hartono Luthfi Ramadhani, Dhani Luzicoiij, Michael Edison M. Zairin Junior M.Pd Prof. Dr. I Nyoman Sudiana . Mala Nurilmala MARIA BINTANG Meilisza, Nina Melva Louisa Mirza Dikari Kusrini MS, Yulia Atika Muhaimin Muhaimin MUHAMMAD AGUS SUPRAYUDI Muhammad Dailami, Muhammad Muhammad Nafiz Nisa Widya Amanda Noorwati Sutandyo Norman Razief Azwar Norman Razief Azwar Novik Nurhidayat Novik Nurhidayat Nuke Annisa Nasution NUNUK WIDHYASTUTI Nur Bambang Priyo Utomo Nur Hasanah Nur Hasanah Nurmala Sari Nurul Khumaida Perkasa Arian Puji Lestari Rahadian Pratama Rahmawati, Fri Rava Raisha Putra Resti Rahmawati Putri Rimbawan , Rini Kurniasih, Rini Roedhy Poerwanto Roosita, Kartin Septiany C. Palilingan Sheryn Sunni Albani Siagian, Putri Junita Simbolon, Martina Siregar, Josephine Elizabeth Siti Nurjanah Soekarno Mismana Putra Soekarno Mismana Putra, Soekarno Mismana Sogandi Sogandi Sogandi Sogandi Sudarsono Suharyanto Suharyanto Sulfianti, Asri Sulistiani sulistiani SURYANI Suryani Suryani Suryani Suryani Suryo Wiyono Sutoro Sutoro Syaeful Abidin Syamsul Falah Tatik Khusniati Tetty Chaidamsari Tetty Chaidamsari, Tetty Tri Panji Tri Rini Nuringtyas Trini Suryani Kadir Vita Rosaline Fahri Waras Nurcholis Wardhani, Bantari Wisynu Kusuma Wasrin Syafii Wibowo, Syahputra Wijiastuti Wijiastuti Yadi Suryadi Yahdiana Harahap Yulianto YUNITA ARIAN SANI ANWAR Zahra, Hafizh