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All Journal VALENSI Jurnal Pendidikan Kimia (JPKim) Indonesian Journal of Chemistry Jurnal Ketahanan Pangan Jurnal Farmasi Molekul: Jurnal Ilmiah Kimia
Winarto Haryadi
Jurusan Kimia Universitas Gadjah Mada
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Dentistry Education Environmental Science Health Professions Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Social Sciences

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Ekstraksi Lipida Dengan Metode Microwave Assisted Extraction Dari Mikroalga Yang Potensial sebagai Biodiesel Bintari, Yoni Rina; Haryadi, Winarto; Rahardjo, Tri Joko
JU-ke: Jurnal Ketahanan Pangan Vol 2, No 2 (2018): JU-Ke
Publisher : Universitas Islam Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (81.336 KB)

Abstract

Important stages of the production of biodiesel from microalgae is a lipid extraction step. Microwave Assisted Extraction (MAE) is an extraction technique utilizing microwave energy using water solvent. Excellence MAE method is to minimize the use of organic solvents that are toxic, no ecofriendly and unrenewable. Extraction of lipids from microalgae using MAE method leads to a green process to produce bioenergy. This study aims to obtain the optimum extraction conditions of S. platensis lipids and T. chuii using MAE method, the effect of the addition of n-hexane at a post extraction and conversion to biodiesel. The results showed that the optimum of lipid extraction conditions from S. platensis  at microwave power of 560 Watts, the addition of water to the volume of microalgae 6.67 mL/gram dry weight of S. platensis and extraction time of 510 seconds resulting lipid yield of 1.27%. The optimum of lipid extraction condition from T. chuii at 800 Watts of power, the addition of water to the volume of microalgae 8.3 mL/gram dry weight T. chuii and extraction time for 510 seconds resulting lipid yield of 1.25%. Increasing the number of n-hexane at a post extraction from S. platensis effective in adding volume 5 mL, where the addition of 7 mL to 15 mL have no significant increase in yield. Conversion of S. platensis lipids and T. chuii produced a high yield of biodiesel in comparison to the amount of lipid methanol 1:173 to yield 66,7% and 75% respectively.
Polimerisasi Eugenol Minyak Daun Cengkeh Hasil Redistilasi, Ekstraksi, dan Fraksinasi Menggunakan Katalis Asam Sulfat Pekat Sudarlin Sudarlin; Winarto Haryadi
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 3, No. 1, Mei 2017
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (764.431 KB) | DOI: 10.15408/jkv.v3i1.4685

Abstract

Polymerization of purified eugenol from clove leaf oil using concentrated sulfuric acid as catalyst has been done in this research. Clove leaf oil was purified by vacuum redistillation, acid-base extraction, and vacuum fractionation to yield eugenol. The eugenol was polymerized with concentrated sulfuric acid in ratio 1: 2. Polyeugenol from eugenol of clove leaf oil resulted from redistillation, extraction, and fractionation is in solid form (yield: 88.14%); from redistillation and extraction is also in solid form (yield: 86.15%); from redistillation clove leaf oil is in gel form (yield: 100.29%). Structure of polyeugenol was determined by infrared spectrophotometer and characterized by thin layer chromatography (TLC). Molecular weight of the product was calculated by viscometry method.DOI: http://dx.doi.org/10.15408/jkv.v0i0.4685
Molecular Docking Analysis of Hydroxy Chalcones and Flavones from Anisaldehyde and Veratraldehyde as EGFR Inhibitors: Predicting Anticancer Potential Pambudi, Wisnu; Haryadi, Winarto; Matsjeh, Sabirin; Anwar, Chairil
Molekul Vol 19 No 1 (2024)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2024.19.1.8956

Abstract

This study aimed to investigate the potential of hydroxy chalcone and flavone derivatives as inhibitors of the epidermal growth factor receptor (EGFR) with anticancer properties. Molecular docking simulations were conducted using Autodock Tools 1.5.6 and Discovery Studio visualizer. The EGFR protein structure with the PDB code 1M17 was utilized as the receptor, explicitly targeting the binding pocket. Redocking of the reference ligand erlotinib yielded a binding energy of -7.51 kcal mol-1 with an RMSD of 0.54 Å, confirming the accuracy of the docking protocol. The hydroxy chalcone and flavone derivatives exhibited binding energies ranging from -6.50 to -7.67 kcal mol-1 when interacting with the EGFR protein. Among the studied compounds, compound 2',5'-dihydroxy-3,4-dimethoxychalcone (1g) displayed the lowest binding energy. Interactions involving amino acids such as Met769, Ala719, Thr766, Lys721, and Glu738 were identified as crucial hydrogen bonding interactions between the ligands and the EGFR protein. These findings suggest that 2',5'-dihydroxy-3,4-dimethoxychalcone holds strong potential as a tyrosine kinase inhibitor, positioning it as a promising candidate for further development as an anticancer agent. The outcomes of the computational analysis conducted through the pkCSM online platform indicated that the chemical 2',5'-dihydroxy-3,4-dimethoxychalcone had favorable pharmacokinetic characteristics and showed low toxicity levels. Keywords: molecular docking, hydroxy chalcone, flavone, egfr, ADMET
Exploring The Inhibition of SARS-COV-2 PLpro: Docking and Molecular Dynamics Simulation of Flavonoid in Red Fruit Papua and Its Derivatives Ananto, Agus Dwi; Pranowo, Harno Dwi; Haryadi, Winarto; Prasetyo, Niko
Molekul Vol 19 No 3 (2024)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2024.19.3.11717

Abstract

In early 2024, Covid-19 witnessed a substantial decline in cases. Nevertheless, with lingering cases and fatalities persisting, it remains crucial to focus on research to develop patented medicines to inhibit the spread of this virus effectively. This study focuses on the Papain-like protease (PLpro) of SARS-CoV-2 because of its crucial role in the viral life cycle, where it is vital for processing precursor proteins into functional components required for viral replication and propagation. This study investigated the inhibitory potential of flavonoid compounds derived from red fruit (Pandanus conoideus Lam) and their derivatives against SARS-CoV-2 PLpro. Employing an in silico approach through molecular docking and MD simulation, internal validation was conducted by redocking the native ligand 100 times, resulting in an average RMSD of 0.228. The Molecular Docking stage conducted for all flavonoid compounds found in red fruit revealed that Quercetin 3′-glucoside exhibited a binding energy of -8.2440 Kcal/mol, surpassing its comparators, remdesivir and paxlovid, which recorded binding energies of -8.2590 Kcal/mol and -7.2170 Kcal/mol, respectively. Consequently, Quercetin 3′-glucoside was selected as a reference compound for identifying derivative compounds. Subsequently, a derivative compound coded DN5 (2-hydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 2-methoxybenzoate) was obtained, demonstrating a higher binding energy than the reference compound, remdesivir, and paxlovid, with a value of -8.9300 Kcal/mol. Molecular dynamic simulations over 100 ns at 300 K further validated the stability of DN5's structure, supported by the presence of hydrogen bonds, van der Waals bonds, and several other bonds, underscoring its potential to inhibit SARS-CoV-2 PLpro and positioning it as a promising candidate for drug development. Keywords: Docking, MD Simulation, red fruit, SARS-CoV-2 PLpro
Synthesis of (3E,5E)-1-benzil-3,5 bis (3 (benziloksi)benziliden)piperidin-4-on curcumin analogues and their potential as breast anticancer agents: Assessment using MTT test and molecular docking Astuti, Endang; Kultsum, Jihan Alfiyah; Aulia, Zarah; Rahmawari, Frika; Gurning, Kasta; Triono, Sugeng; Haryadi, Winarto; Pranowo, Harno Dwi
Jurnal Pendidikan Kimia Vol. 16 No. 3 (2024): J. Pendidik. Kim : December 2024
Publisher : Pascasarjana Universitas Negeri Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24114/jpkim.v16i3.65150

Abstract

Breast cancer is a serious disease that occurs in women and contributes to the highest mortality compared to other types of cancer. This study aims to synthesize curcumin analog compounds ((3E,5E)-1-benzyl-3,5 bis (3 (benzyloxy)benzylidene) piperidin-4-one), test them in vitro against various breast cancer cells (T47D, HER-2, MCF-7, and 4T1) and normal cells (vero cells), and study their molecular docking. Synthesis was carried out by reacting 3-benzyloxybenzaldehyde with N-benzyl-4-piperidone catalyzed by 5% KOH at room temperature; in vitro testing was carried out using the Microculture Tetrazolium Technique Assay method, ADMET analysis with an online database server, and molecular docking studies in Autodoc Vina. The synthesis results obtained yellow solid powder with a yield of 65.85%, characterization with TLC gave black fluorescence (Rf 0.63), melting point 114-116oC, TLC scanner one peak (100%), retention time 0.65 minutes, 1H &13C-NMR analysis showed the molecular formula C40H35NO3, moderate activity against 4T1 breast cancer cells and inactivity on T47D, HER-2, and MCF-7 cancer cells, and did not show cytotoxicity to normal cells (vero cells). ADMET predictions from Lipinski's five rules contained two parameters that did not meet, namely molecular weight and log P value. Molecular docking studies were carried out on estrogen receptor protein (ER)-α (PDB ID: 2ERT), which showed a binding affinity energy of -8.7 kcal/mol and -7.1 kcal/mol of the native ligand. Further research and development is needed on synthetic curcumin analog compounds to increase their activity value against breast cancer by paying attention to Lipinski's five rules to obtain compounds with better potential activity and ADMET.
Unlocking the Potential of Papuan Red Fruit (Pandanus conoideus Lamk): A Comprehensive Exploration of Its Role in COVID-19 Inhibition Through Molecular Docking and Molecular Dynamics Simulation Ananto, Agus Dwi; Pranowo, Harno Dwi; Haryadi, Winarto; Prasetyo, Niko
Indonesian Journal of Chemistry Vol 25, No 3 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.99486

Abstract

Indonesia's rich flora has long been used in traditional herbal medicine, and scientific research is now confirming the health benefits of these plants. Among them, Papuan Red Fruit is gaining attention for its potential in treating various ailments, including COVID-19, due to its antioxidant and antibacterial properties. This study focuses on using in silico methods to investigate how Papuan Red Fruit might inhibit COVID-19, specifically by targeting the papain-like protease (PLpro), a key protein in viral replication. Molecular docking and molecular dynamics (MD) simulations were used to assess the binding affinity and stability of compounds from the fruit. The compound quercetin 3'-glucoside showed the lowest binding energy, indicating strong interactions with PLpro. MD simulations at 300 K for 100 ns confirmed the stability of the quercetin 3'-glucoside-PLpro complex, revealing hydrogen bonds with residues like GLN169. The simulations showed an average delta RMSD of 0.2702 Å, indicating the complex's stability. Overall, this research highlights the potential of Papuan Red Fruit as a natural treatment for COVID-19, opening the door for further studies in drug development.
Uji Praklinis Anti-Kanker Myrmecodia Pendans Pada Tikus Putih yang Diinduksi 7,12 –dymethylbenz[α]anthracene (DMBA) Suharyanto; Haryadi, Winarto
Jurnal Farmasi (Journal of Pharmacy) Vol. 7 No. 1 (2018): Jurnal Farmasi (Journal of Pharmacy), October 2018
Publisher : Jurnal Farmasi (Journal of Pharmacy)

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Abstract

Cancer is a growing cells of any type of cell and tissue in the body anywhere, a large number of diseases are characterized by tissue and cell type of origin . Each year found nearly 6 million new patients known to have cancer, and more than 4 million of them died. Until now cancer treatment is done by 3 ways: surgery, radiation, and drug delivery of anti -neoplastic or anti- cancer. The treatments is good however over a lot of side effects to the patient. This study aims to conduct a series of pre-clinical trials to determine the optimal dose of Myrmecodia pendens can be used as a drug to cure lung cancer .The specific objective of this research is to extract Myrmecodia pendens Plant to produce drugs alternative cancer disease. Benefits of this research can be used directly by the public to be used as an herbal medicine, to treat cancer Testing is done by creating a model of lung cancer cells from rats induced with 7,12-dimethylbenz[a]anthracene (DMBA) as much as 10 times along 5 weeks. Therapy is done by adding 250mg/kgW, 500 mg/kgW and 750 kg/KgW extracts Based on the Histopathology test showed that Myrmecodia Pendans extract dose of 750 mg / kg body weight can improve lung tissue damaged by exposure to DMBA.
Co-Authors Agus Dwi Ananto, Agus Aulia, Zarah Chairil Anwar Endang Astuti Harno Dwi Pranowo Kasta Gurning Kultsum, Jihan Alfiyah Pambudi, Wisnu Prasetyo, Niko Rahmawari, Frika Sabirin Matsjeh Sudarlin - Suharyanto Tri Joko Rahardjo, Tri Joko Triono, Sugeng Yoni Rina Bintari