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All Journal Farmasains : Jurnal Farmasi dan Ilmu Kesehatan Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences Jurnal Kedokteran Brawijaya The Journal of Experimental Life Sciences (JELS) Biotropika Indonesian Journal of Biotechnology Indonesian Journal of Chemistry Biota Jurnal Riset Biologi dan Aplikasinya JSMARTech : Journal of Smart Bioprospecting and Technology Berkala Penelitian Hayati Tri Dharma Mandiri: Diseminasi dan Hilirisasi Riset Kepada Masyarakat (Jurnal Pengabdian Kepada Masyarakat) Makara Journal of Science
fatchiyah .
Departement Of Biology, Faculty Of Mathematic And Natural Science, Universitas Brawijaya, Malang
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Education Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Public Health Social Sciences

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Journal : Makara Journal of Science

 1 
Modeling of Aqueous Root Extract Compounds of Ruellia tuberosa L. for Alpha-Glucosidase Inhibition Through in Silico Study Safitri, Anna; Sari, Dewi Ratih Tirto; Fatchiyah, Fatchiyah; Roosdiana, Anna
Makara Journal of Science Vol. 25, No. 1
Publisher : UI Scholars Hub

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Abstract

This study aims to analyze the inhibitory activities of aqueous root extract compounds of Ruellia tuberosa L. toward alpha-glucosidase protein by computational docking analysis. Three major compounds contained in the extracts (i.e., betaine, daidzein, and hispidulin) were selected as ligands; quercetin and acarbose were used as the reference. Computational docking analysis was performed using the HEX 8.0.0 program and visualized using the Discovery Studio Visualizer v19.1.0.18287 (2019 version) on the basis of the scoring functions. The interactions between ligands and alpha-glucosidase protein showed different binding patterns. The types of bonds involved in the interaction between the enzyme and these ligands were hydrogen and hydrophobic bonds. Energy generated from docking of betaine, daidzein, hispidulin, quercetin, and acarbose to alpha-glucosidase protein were −167.6, −249.5, −251.2, −241.5, and −322.1 cal/mol, respectively. Acarbose had the lowest energy, indicating that it has the strongest interaction with alpha-glucosidase, followed by hispidulin, daidzein, quercetin, and betaine. Amino acid residues that interacted with the ligands were His717, Met363, Arg608, Pro361, Phe362, Leu865, Glu869, Arg594, andAsp356. The current research shows that R. tuberosa L. aqueous root extracts have the potential to be used as an inhibitor for the alpha-glucosidase protein and as an antidiabetic agent. Nonetheless, further studies are needed to support this modeling study.
Antimicrobial Activity of Ferulic Acid in Indonesian Purple Rice through Toll-like Receptor Signaling Wijayanti, Ernanin Dyah; Safitri, Anna; Siswanto, Dian; Triprisila, Lidwina Faraline; Fatchiyah, Fatchiyah
Makara Journal of Science Vol. 25, No. 4
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Purple rice is a potential source of ferulic acid, which has antimicrobial properties. However, the inhibitory mechanism of ferulic acid on the growth of bacteria, particularly Salmonella and Listeria, has not been elucidated. This study aimed to determine the bioactivity of ferulic acid from purple rice as an antimicrobial agent against Salmonella typhimurium and Listeria monocytogenes using in vitro and in silico analyses. The antimicrobial activity of a purple rice ferulic acid extract was tested using the agar well diffusion method. Its effect on bacterial cells was observed using scanning electron microscopy. Ferulic acid was confirmed to have antimicrobial properties using in silico software to attenuate the binding of bacterial virulence factors (lipoproteins, lipopolysaccharides, and flagellins) to Toll-like receptors (TLRs) and to prevent interactions with peptidoglycans. The purple rice ferulic acid extract inhibited bacterial growth. The inhibitory effects included induction of a biofilm and shrinkage of S. Typhimurium, as well as osmotic lysis of L. monocytogenes. This activity was supported by the ability of ferulic acid to inhibit the binding of bacterial virulence factors with TLRs and block bacterial peptidoglycans. These findings indicate that the purple rice ferulic acid extract acts as antimicrobial, both directly to bacterial cells and indirectly through TLRs. We conclude that ferulic acid from Indonesian purple rice has a biological function as an antimicrobial agent.
Molecular Interaction of Purple Rice Ferulic Acid and Skin Aging-Related Enzymes Wijayanti, Ernanin Dyah; Fatchiyah, Fatchiyah; Safitri, Anna; Siswanto, Dian
Makara Journal of Science Vol. 29, No. 1
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Purple rice is rich in ferulic acid, a phenolic acid abundant in rice. Ferulic acid (FA) has long been recognized for its anti-oxidant properties, which are linked to its skin anti-aging activity owing to its ability to scavenge free radicals and pro-tect cells from damage. Skin anti-aging activity could be assessed by inhibiting skin aging enzymes. However, there was limited information on the mechanism of FA inhibition of these enzymes. This study focused on the molecular interac-tion between purple rice FA and collagenase or tyrosinase, both with and without their substrates. The interaction be-tween FA (CID 445858), collagenase (2Y6I), tyrosinase (5M8M), collagenase substrate (CID 5486160), and tyrosinase substrate (CID 6057) was docked using Hex 8.0.0 Cuda with the default settings. Discovery Studio 2020 and LigPlot software were used to visualize the docking results. Ascorbic acid (CID 54670067) and kojic acid (CID 3840) were used as positive controls for collagenase and tyrosinase, respectively. Molecular docking revealed that FA formed electro-static, hydrogen, and hydrophobic bonds with all aging enzymes, substrates, and enzyme–substrate complexes. FA could bind to both free enzymes and free substrates, consequently attenuating enzyme–substrate bonding, and preventing the substrate from binding appropriately in its normal position. Molecular dynamics simulations demonstrated that FA formed a stable bond with tyrosinase, similar to kojic acid, although the bond with collagenase was less stable. However, the pattern of each parameter during the simulation was comparable with that of ascorbic acid. The current study indicated that the FA from purple rice had the potential to act as an inhibitor of skin aging en-zymes and could be developed as a skin anti-aging candidate
Co-Authors Abdullah Abdullah Adhya Dava Aligarh Yahya Adzral Alamsyah Agustin, Diah Eka Ahmad Hafidul Ahkam Akbar Farid Hasibuan Alam, Fajar Mustika Alvionita, Cicin Vinolia Anandari, Risma Nila Andyni, Regina Shania Anna Roosdiana Antonius Christianto Aris Soewondo Aru W Sudoyo Arumsari, Pamuji Lestari Atamimi, Fachrur Rozi Aulanni'am, Aulanni'am Bare, Yohanes Budiarti, Sarah Fadilah Cairns, James Robert Ketudat Choirunil Chotimah Christianto, Antonius Criswahyudianti, Elsa Rahmania Dewi Ratih Tirto Sari Dian Siswanto Djoko Wahono S Eko Suyanto Elan Herlina Elan Herlina, Elan Ernanin Dyah Wijayanti Ezra, Achmad Fadilla, Khalisa Fahmi, Muhamad fajri, wahyu nur laili Farida Rachmawati, Farida Fatma Yona, Hafidza Fauzi Yusuf, Fauzi Firdausi, Lina Gotoh, Takayuki Handono Kalim Harun Al Rasyid Hasibuan, Akbar Farid Hazna Noor Meidinna Hermanto, Feri Eko Hose, Victor Alvianoes Guterez Husnah, Yeni Avidhatul Ilmiyah, Silvi Zakiyatul Iva Himmatul Aliyah Iva Himmatul Aliyyah Kamila, Fairuz Sarah Karuniasari, Nadaa Khairunnisa Hidaya, Amira Kurnianingsih, Nia Lidwina Faraline Triprisila Lidwina Faraline Triprisila Lina Firdausi M Rasjad Indra M Rasjad Indra Maekawa, Tatsuya Maisuroh, Dalilatul Mandai, Kouhei Mantow, Jellyta Pricilla Mardhiyah, Rihadatul Aisy Masruro, Nuri Miggy Uri Karitas Minnah, Siti Khaizatul Miyajima, Katsuhiro Muhammad Darwin P Mulyati Mulyati Muwaffiq Faza, Ahmad Nafisah, Wirdatun Najma Zahira Nakamura, Sanae Narwasthu, Sekararum Nathania, Nina Regina Naufal, Achmad Hanif Nia Kurniawan Nia Kurniawan Nia Kurniawan Nikmah, Istiftakhun Nurdiana Nurdiana Nurdiana Nurdiana Nurmasari, Damai Aulia Ohta, Takashi Ohta, Takeshi Palis, Christine Natalia Pertiwi, Kadita Octavia Pramudya, Muhammad Alif Imam Pratama, Ardo Cahya Putri Ramadhani, Putri Putri, Nenis Try Melani Putri, Siti Aqila Kharisma Rahmadini, Agnia Fadillah Rahmat Grahadi Rasjad Indra Rasjad Indra Reyhanditya, Davy Rijalullah, Muhammad Asyraf Rista Nikmatu Rohmah Rista Nikmatu Rohmah Rista Nikmatu Rohmah Rista Nikmatu Rohmah, Rista Nikmatu Rivqi Rifa Bia Rizka Vamelia Sulistya Ningrum Rizky Nurdiansyah Robiatul Adawiyah Rofi'i, Ahmad Rosyada, Nabila Nur Rosyadah, Nuraini Safira, Dona Safitri, Anna Sari, Dewi Ratih Tirto Sasase, Tomohiko Shafala Safa, Muhammad Shinohara, Masami Shinozaki, Yuichi Siti Nur Aisyah Soraya Widyasari Soraya Widyasari, Soraya Sri Rahayu Lestari Syafruddin Ilyas Talitha Pangestu, Twistka Tapiory, Adelia Adrianne Titin Andri Wihastuti Turhadi Turhadi Ulfah, Mumtaz Nabila Umar, Ja’far Uno, Kinuko Wachid, Nisa Nabila Aufa Wahyuningsih, Nadia Widadni, Vidya Utami Widyananda, Muhammad Hermawan Yamada, Takahisa Yamaguchi, Ayane Zaidah, Laili Nur Zain, Dhiyaa Syahlaa Bianca Febrinnisa Zyana Fithri Nur Faizah