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All Journal VALENSI Indonesian Journal of Biotechnology Science and Technology Indonesia Communications in Science and Technology Chemistry Indonesian Journal of Chemical Research Jurnal Kartika Kimia Indonesian Chimica Letters Jurnal Ilmiah Multidisiplin
Hermawati, Elvira
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Religion Aerospace Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Economics, Econometrics & Finance Education Engineering Environmental Science Immunology & microbiology Materials Science & Nanotechnology Physics

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 1 
Synthesis and Biological Evaluation of N'-Arylidene-4-Hydroxybenzohydrazides against α-Glucosidase Enzyme Danova, Ade; Hermawati, Elvira; Chavasiri, Warinthorn
Jurnal Kartika Kimia Vol 6 No 2 (2023): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v6i2.210

Abstract

Hydrazides have been reported to have a broad spectrum of bioactivities, such as anticancer, antifungal, antibacterial, and antidiabetic. Thus, our work aimed to synthesize N'-arylidene-4-hydroxybenzohydrazides and investigate their α-glucosidase inhibition. Three compounds (AD-H1-3) were synthesized with a yield of product from 33 to 65% and then characterized using 1H-and 13C-NMR spectroscopy. The in vitro α-glucosidase inhibition demonstrated that AD-H2 possessing two hydroxy groups on arylidene moiety showed the best inhibitory activity against α-glucosidase enzyme with an IC50 value of 14.4 µM compared with acarbose as a positive control with IC50 value of 93.6 µM. Thus, AD-H2 could be a candidate as a lead compound for antidiabetics.
Synthesis, Evaluation, and Molecular Docking Study of 4-Monoacyl Resorcinol Against Tyrosinase Enzyme Danova, Ade; Maulana, Yusuf Eka; Hermawati, Elvira; Chavasiri, Warinthorn
Indonesian Journal of Chemical Research Vol 11 No 2 (2023): Edition for September 2023
Publisher : Jurusan Kimia, Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598//ijcr.2023.11-nov

Abstract

Tyrosinase is a crucial enzyme in melanin production to protect the skin from ultraviolet, leading to skin cancers. This study synthesized eight compounds of acyl resorcinol with long-chain carbon (1-8) and structurally elucidated by 1H and 13C NMR. The in vitro evaluation of eight synthesized compounds against tyrosinase enzyme showed that 4-heptanoyl resorcinol (6) exhibited high inhibitory activity compared with the kojic acid as standard. In addition, the molecular docking study demonstrated that 6 showed lower binding energy (-7.3 kcal/mol) than kojic acid (-6.9 kcal/mol) and possessed interaction with crucial residues in the active site.
Garciniaxanthone E and 12b-Hydroxy-des-D-garcigerrin A from The Tree Bark Garcinia dulcis and their Inhibitory Properties against Receptor Tyrosine Kinases Kurniadewi, Fera; Aqilah, Amadita Shafa; Kartika, Irma Ratna; Nurjayadi, Muktiningsih; Hermawati, Elvira; Danova, Ade
Jurnal Kimia Valensi Jurnal Kimia VALENSI, Volume 10, No. 1, May 2024
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v10i1.38159

Abstract

Two xanthone derivatives, garciniaxanthone E (1) and 12b-Hydroxy-des-D-garcigerrin A (2) have been isolated from ethyl acetate extract of the tree bark of Garcinia dulcis. The Ultraviolet (UV), Infrared (IR), Nuclear Magnetic Resonance (NMR), and Mass Spectrometry (MS) data analysis elucidated the structure of the isolated compounds. This study represents the first evaluation of compounds 1 and 2 in terms of their efficacy against receptor tyrosine kinases. The results showed that compound 1 exhibited weak activity with 12% inhibition against Insulin Receptor (InsR), while compound 2 showed moderate activity with 29% inhibition against epidermal growth factor receptor (EGFR). A molecular docking study targeting EGFR-TK suggests that the hydroxyl group at C-4 on compound 2 can be demolished to raise the inhibitory activity in future research.
Isolation and Transformation of Tefrosin From The Seed of Tephrosia Vogelii With SelectfluorTM Yulvia, Ana; Hermawati, Elvira; Danova, Ade; Oktavianawati, Ika; Reza, Muhammad
Indonesian Chimica Letters Vol. 3 No. 2 (2024)
Publisher : Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.19184/icl.v3i2.4274

Abstract

In this study, tefrosin (1), a known phenolic compound, was successfully isolated and identified from the seed extract of Tephrosia vogelii. The structure of this compound was determined based on 1D and 2D NMR spectroscopy. Furthermore, the isolated compound was transformed using 0.5 equivalent of selectfluor™ in acetonitrile solvent at 100 oC for 3 hours. The reaction product, namely dehydrotephrosine (2), is new reaction product from selectfluor™ reagent as a catalyst in tertiary alcohol dehydration in aromatic group. This finding highlights the effectiveness of selectfluor™ as a catalyst in dehydration reactions, demonstrating its potential to introduce new chemical properties to compounds. The study underscores the versatility of selectfluor™ and its ability to facilitate the generation of valuable derivatives from phenolic compounds. These results provide insights into the reactivity of tefrosin and offer a new approach for chemical transformations involving phenolic substrates.
Discovery of thymol-fused chalcones as new competitive \(\alpha\)-glucosidase inhibitors: Design, synthesis, biological evaluation, and molecular modeling studies Danova, Ade; Hermawati, Elvira; Chavasiri, Warinthorn; Mujahidin, Didin; Alni, Anita; Roswanda, Robby
Communications in Science and Technology Vol 9 No 2 (2024)
Publisher : Komunitas Ilmuwan dan Profesional Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21924/cst.9.2.2024.1497

Abstract

This study aims to synthesize and evaluate the inhibitory activity of thymol derivatives targeting ?-glucosidase using in vitro and in silico studies. Ten thymol derivatives (2-11) including five new thymol-fused chalcones (7-11) were successfully synthesized. Among them, four compounds (4, 8, 9, 11) showed the best inhibitory activity with IC50 values of 18.45, 13.75, 8.86, and 10.67µM compared with acarbose (IC50 = 832.82 µM), respectively. The kinetic study of three new thymol-fused chalcones (8, 9, 11) exhibited a competitive inhibition. Molecular docking demonstrated the predicted interactions between ligand (8, 9, 11) and ?-glucosidase, which are responsible for inhibiting the enzyme's catalytic abilities. Furthermore, molecular dynamics simulation of the enzyme-ligand 9 complex indicated that this complex was stable in aqueous condition. This research contributes significantly to the understanding of thymol-fused chalcones that may have therapeutic potential and their possible application in the treatment of type 2 diabetes mellitus (T2DM) for further study.
Isolasi dan Uji Aktivitas Antibakteri Metabolit Sekunder Pada Ekstrak N-Heksan Rimpang Temu Kunci (Boesenbergia pandurata) Risma, Melania; Darmayani, Ni Komang Tri; Ulfa, Maria; Yuanita, Emmy; Sudirman, Sudirman; Hadi, Surya; Hermawati, Elvira
Jurnal Ilmiah Multidisipin Vol. 2 No. 6 (2024): Jurnal Ilmiah Multidisiplin, Juni 2024
Publisher : Lumbung Pare Cendekia

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Temu kunci (Zingiberceae) merupakan salah satu tanaman obat yang ada di Indonesia. Penelitian terdahulu tentang kajian fitokimia dan bioaktivitas tanaman ini menunjukkan beberapa metabolit sekunder yaitu pinostrobin, pinoscembrin, panduratin A dengan bioaktivitas yang beragam salah satunya sebagai antibakteri. Berdasarkan laporan tersebut diketahui pula bahwa temu kunci yang berasal dari Dompu belum pernah dikaji fitokimia maupun bioaktivitasnya. Oleh karena itu penelitian ini dilakukan dengan tujuan untuk menganalisis kandungan metabolit sekunder pada rimpang temu kunci dan aktivitasnya sebagai antibakteri. Tahapan isolasi pada penelitian ini dimulai dengan ekstraksi dan dilanjutkan dengan pemisahan dan pemurnian. Metode ekstraksi yang digunakan yaitu maserasi dengan pelarut metanol. Ekstrak yang diperoleh kemudian dilakukan pemisahan dan pemurnian dengan berbagai metode kromatografi dan diidentifikasi menggunakan spektroskopi UV-Vis, FTIR, NMR (1D). Berdasarkan hasil analisis spektroskopinya senyawa hasil isolasi yang diperoleh yaitu 5-hidroksi-7-metoksiflavanon (pinostrobin). Hasil pengujian aktivitas antibakteri dengan variasi konsentrasi 50, 100, dan 150 ppm dari senyawa pinostrobin menunjukkan zona hambat terhadap bakteri Gram positif (+) Staphylococcus aureus berturut-turut sebesar 11,3, 12, 12,6 mm sedangkan terhadap bakteri Gram negatif (-) Escherichia coli berturut-turut sebesar 10,6, 11,6, 12,3 mm. Hasil pengujian antibakteri dengan konsentrasi 600 ppm dari ekstrak n-heksan menunjukkan zona hambat berturut-turut sebesar 13 dan 12,3 mm. Hal tersebut membuktikan bahwa senyawa pinostrobin dan ekstrak n-heksan temu kunci berpotensi sebagai antibakteri.
Isolasi Metabolit Sekunder dan Uji Aktivitas Antibakteri Pada Ekstrak Metanol Temu Kunci (Boesembergia Pandurata) Wahidatun, Wahidatun; Dharmayani, Ni Komang Tri; Ulfa, Maria; Yuanita, Emmy; Hermawati, Elvira
Jurnal Ilmiah Multidisipin Vol. 2 No. 12 (2024): Jurnal Ilmiah Multidisiplin, Desember 2024
Publisher : Lumbung Pare Cendekia

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Temu kunci merupakan salah satu tanaman yang banyak dijumpai di beberapa daerah di Indonesia dan memiliki berbagai macam potensi dalam bidang farmakologi. Pada penelitian ini telah dilakukan isolasi dan uji aktivitas antibakteri dari temu kunci (Boesembergia pandurata) asal Dompu. Penelitian ini bertujuan untuk mengetahui kandungan metabolit sekunder pada temu kunci dan aktivitasnya sebagai antibakteri. Proses isolasi dilakukan dalam beberapa tahapan yaitu ekstraksi, pemisahan dan pemurnian. Metode ekstraksi yang digunakan yaitu maserasi dengan pelarut metanol. Ekstrak metanol yang diperoleh selanjutnya dilakukan pemisahan dan pemurnian dengan menggunakan berbagai teknik kromatografi, seperti Kromatografi Lapis Tipis (KLT), Kromatografi Vakum Cair (KVC) dan Kromatografi Kolom Gravitasi (KKG) serta diidentifikasi menggunakan spektroskopi Nuclear Magnetic Resonance (NMR) satu dimensi (1H-NMR dan 13C-NMR). Berdasarkan hasil analisis spektroskopinya senyawa hasil isolasi yang diperoleh yaitu bis-(2-etilheksil) ftalat dan merupakan turunan dari asam ftalat. Selanjutnya dilakukan uji aktivitas antibakteri terhadap bakteri Gram positif (Staphylococcus aureus ATCC 25923) dan bakteri Gram negatif (Escherichia coli ATCC 25922) menggunakan metode difusi sumuran dengan konsentrasi ekstrak metanol 600 ppm dan senyawa bis-(2-etilheksil) ftalat menggunakan tiga variasi konsentrasi yaitu 50, 100, 150 ppm. Hasil pengujian antibakteri menunjukkan zona hambat terhadap bakteri S.aureus berturut-turut 12,33; 13; 15,33; dan 16,66 mm sedangkan terhadap bakteri E. coli berturut-turut 11,67; 13,33; 14,67; dan 15,33. Hasil uji tersebut menunjukkan bahwa ekstrak metanol dan senyawa hasil isolasi memiliki aktivitas antibakteri terhadap bakteri S.aureus dan E. coli.
In vitro evaluation, molecular docking, and molecular dynamics studies of resorcinol derivatives against yeast α‐glucosidase Danova, Ade; Hermawati, Elvira; Chavasiri, Warinthorn; Mujahidin, Didin; Musthapa, Iqbal; Kurniadewi, Fera
Indonesian Journal of Biotechnology Vol 30, No 3 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijbiotech.106495

Abstract

Nine resorcinol derivatives were evaluated for their ability to inhibit yeast α‐glucosidase using the in vitro method. Three molecular docking programs (Autodock Vina, Autodock4 and DockThor) were employed to determine the binding energies. The results showed that two resorcinol derivatives possessing butanoyl (1) and butyl (9) groups demonstrated good inhibitory activity against α‐glucosidase, with IC50 values of 75.9 and 33.3 µM respectively, compared with other derivatives (2–8) and acarbose (IC50 = 832.8 µM). Furthermore, molecular docking indicated that compounds 1 and 9 had better binding affinities than acarbose and the native ligand. Both compounds showed similar interactions with Asp349 and Glu408, which were associated with acarbose and the native ligand. Moreover, molecular dynamics analysis indicated that compound 9 exhibited greater stability than compound 1 when complexed with α‐glucosidase. Therefore, compound 9 has the potential for further studies, both in vitro and in vivo, to evaluate its toxicity, side effects and efficacy.
Anti-tyrosinase Activity of 3’,4’,5’-Trimethoxychalcones: Experimental and Computational Studies Danova, Ade; Hermawati, Elvira; Chavasiri, Warinthorn; Mujahidin, Didin; Musthapa, Iqbal; Kurniadewi, Fera
Science and Technology Indonesia Vol. 10 No. 4 (2025): October
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2025.10.4.982-989

Abstract

Tyrosinase inhibitors are utilized as preservatives in the food industry and skin-lightening agents in the medical and cosmetic sectors. However, there has been little progress in clinical trials owing to challenges such as low bioavailability, significant skin irritation, and instability. Hence, the objective of this study was to evaluate the inhibitory activity of 3’,4’,5’-trimethoxychalcones through in vitro, molecular docking and molecular dynamics studies targeting tyrosinase. Five 3’,4’,5’-trimethoxychalcones (1-5) were evaluated their biological activity against tyrosinase for the first time. Compounds 4 and 5 were excellent inhibitory activity against tyrosinase with IC50 values of 1.9 and 1.7 μm compared with kojic acid and ascorbic acid. Isovanillin and catechol moieties are vital in this present study. This result was supported with molecular docking by shaping interaction in the catalytic site with histidine residues and the stability evaluation of the inhibitor-protein complexes using molecular dynamics simulation. The lipinski’s rules showed a fit with two potential inhibitors (4, 5). Therefore, 3’,4’,5’-trimethoxychalcones possessing isovanillin and catechol parts in the B ring are promising candidate for further study as tyrosinase inhibitors by evaluating their efficacy in vitro and in vivo.
Co-Authors Ade Danova Anita Alni, Anita Aqilah, Amadita Shafa Chavasiri, Warinthorn Darmayani, Ni Komang Tri Didin Mujahidin Emmy Yuanita Ika Oktavianawati Iqbal Musthapa Kartika, Irma Ratna Kurniadewi, Fera Maria Ulfa Maulana, Yusuf Eka Muhammad Reza Muktiningsih Nurjayadi Risma, Melania Roswanda, Robby Sudirman Sudirman Surya Hadi Tri Dharmayani, Ni Komang Wahidatun, Wahidatun Yulvia, Ana