Arry Yanuar

Arry Yanuar
Universitas Indonesia · Faculty of Pharmacy

Professor.

About

151
Publications
40,999
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582
Citations
Additional affiliations
January 2014 - present
Universitas Indonesia
Position
  • Head of Faculty
October 2003 - September 2006

Publications

Publications (151)
Article
Dipeptidyl peptidase-4 (DPP-4) inhibitors are becoming an essential drug in the treatment of type 2 diabetes mellitus; however, some classes of these drugs exert side effects, including joint pain and pancreatitis. Studies suggest that these side effects might be related to secondary inhibition of DPP-8 and DPP-9. In this study, we identified DPP-4...
Conference Paper
Andrographolide (clog P = 1.62 +/- 0.45) is one of the major secondary metabolites of Andrographis paniculata (Hempedu Bumi). In 2020, we reported our modification of andrographolide into a more hydrophobic analog (clog P = 2.09 +/- 0.42). As a continuation of the research, we conducted an in-vitro anti-plasmodial assay of the analog by lactate de...
Article
Full-text available
Background New dipeptidyl peptidase-4 (DPP-4) inhibitors need to be developed to be used as agents with low adverse effects for the treatment of type 2 diabetes mellitus. This study aims to build quantitative structure-activity relationship (QSAR) models using the artificial intelligence paradigm. Rotation Forest and Deep Neural Network (DNN) are u...
Preprint
Full-text available
Background: New dipeptidyl peptidase-4 (DPP-4) inhibitors need to be developed to be used as agents with low adverse effects for the treatment of type 2 diabetes mellitus. This study aims to build quantitative structure-activity relationship (QSAR) models using the artificial intelligence paradigm. Random Forest and Deep Neural Network are used to...
Article
Full-text available
Several of the DPP-4 inhibitors in the treatment of type 2 diabetes (T2DM) still have unsafe side effects in long-term use. It is necessary to develop a new DPP-4 inhibitor to minimize these unsafe side effects of the drug. QSAR is a model that can be used for the development of DPP-4 inhibitor drugs. The selection of a subset of DPP-4 inhibitor mo...
Article
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Dipeptidyl peptidase-IV (DPP-IV) inhibitor is one of the drug targets for the treatment of diabetes. Some classes of those drugs have dangerous side effects so is critical to develop safer drugs. By using rotation forest methods and in silico, it will be more efficient than conventional methods that require a lot more costs and are more time-consum...
Article
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We prepared six novel curcumin indazole analogs and confirmed their structures by Fourier transform infrared, nuclear magnetic resonance, and mass spectra. Subsequently, their cytotoxicity was tested using the Michigan Cancer Foundation (MCF-7) proliferation assay against the Michigan Cancer Foundation (MCF-7), HeLa, WiDr, and vero cell lines. This...
Article
Estrogen receptor α (ERα) is liable for regulating transcription factors which are an important part of hormonal signaling in breast cancer. This study intends to find hit compounds that are considered capable of inhibiting ERα by utilizing structure-based pharmacophores and molecular docking. Pharmacophore of the original ERα ligand (E4D600) has o...
Article
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The Janus tyrosine kinases (JAKs) have shown great promise as therapeutic protein targets in the treatment of cancer and inflammation diseases. This study used pharmacophore modeling to identify potential inhibitors of Janus kinase 3 (JAK3). A pharmacophore model was developed based on a known JAK3 inhibitor (1NX) and was employed to search for pot...
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The estrogen receptor alpha (ERα) plays an important role in breast development and pro-proliferation signal activation in the normal and cancerous breast. The ERα inhibitors were potentially active as cytotoxic agents against breast cancer. This study was conducted in order to find Asymmetrical Hexahydro-2H-Indazole Analogs of Curcumin (AIACs) as...
Conference Paper
A chronic metabolic disease that often affects adults is type 2 diabetes. Dipeptidyl peptidase-IV (DPP-IV) inhibitors are drug targets for diabetes mellitus type 2 (T2DM) that can block the enzyme dipeptidyl peptidase-IV. At this time, there are adverse effects from these inhibitors. Therefore, novel DPP-IV inhibitors are still expected with minima...
Article
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Indazole derivatives are well known to have various pharmacological activities. We synthesized a novel derivative of indazole, namely (7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl) methylidene]-4,5,6,7-tetrahydro-3aH-indazole by condensation reaction between 3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole and 4-methoxy-benzaldehyde in good yi...
Article
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The novel coronavirus disease 19 (Covid-19) which is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been a pandemic across the world, which necessitate the need for the antiviral drug discovery. One of the potential protein targets for coronavirus treatment is RNA-dependent RNA polymerase. It is the key enzyme in the vir...
Conference Paper
Dipeptidyl peptidase-4 (DPP-4) inhibitor is an important target Diabetes Mellitus (DM) drug discovery. A quantitative Structure-activity Relationship (QSAR) model using molecular descriptors can be developed with the Machine Learning (ML) approach which Extreme Gradient Boosting (XGBoost) represents one of the most promising tools to establish it....
Conference Paper
In 2016, diabetes mellitus type two (T2DM) was one of the leading death causes. The T2DM treatment added inhibitors of the dipeptidyl peptidase-4 (DPP-IV) to the algorithm. Today, DPP-IV inhibitors' marketed forms still have adverse side effects. In this research, we propose the K-means clustering algorithm for the cluster analysis technique by fir...
Article
Full-text available
Andrographolide is the marker compound of Andrographis paniculata (Kalmegh), a herb that constitutes many traditional Asian remedies. In the present photochemical approach to modify its 12-en-14-hydroxyl moiety into 13-enone, a methanol solution of andrographolide has been illuminated with blue laser for 6 hours in the presence of sodium bicarbonat...
Article
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The COVID-19 pandemic has spread to various parts of the world and caused many deaths. The victims are infected by SARS-CoV-2, a new type of coronavirus that has appeared since December 2019 and caused respiratory symptoms, fever, coughing, and shortness of breath. In addition to social distancing, wearing masks and washing hands, diet is important...
Preprint
Full-text available
Eugenol derivatives can inhibit BCL-2 in HT29 colorectal cancer cells. This study is aimed to acquiring new compounds of Eugenyl benzoate (2‐methoxy‐4‐(prop‐2‐en‐1‐yl)phenyl benzoate) derivatives that can inhibit HT29 colorectal cancer cells. In this research, we used several chemical reactions to synthesize novel compounds, such as Esterification,...
Article
Masalah pertama yang dihadapi terkait kegiatan ini adalah Penggunaan sumber daya High Performance Computing (HPC) membutuhkan fasilitas superkomputer yang sangat mahal, baik pengadaan maupun perawatannya. Sehingga fasilitas HPC tersebut hanya dimiliki institusi tertentu yang memiliki sumber pendanaan cukup besar. Terutama di Indonesia, mungkin hany...
Preprint
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Background Status of the latest developments from the spread of COVID-19 in Indonesia has reached 15438 cases with 1028 cases of patients died, updated on May 13, 2020. Unfortunately, the number of infected continues to overgrow, and no drugs have been approved for effective treatment. This research aims to find potential candidate compounds in Ind...
Preprint
Full-text available
Background: The latest development of COVID-19 spread in Indonesia has reached 311,176 cases, with 11,374 patients died, updated on October 6, 2020. Unfortunately, these numbers continue to overgrow, and no drug has yet been approved for effective treatment. This study aims to determine the potential candidate compounds in Indonesian herbal medicin...
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Objective: Lansoprazole (LPZ) is a Biopharmaceutics Classification System Class II drug. It has low solubility and high permeability, so its rate ofdissolution is a rate-limiting step for drug absorption. This study aimed to improve the dissolution rate of LPZ by forming cocrystals, using nicotinamide(NCT) as the conformer.Methods: Cocrystals of LP...
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Objective: The study aimed to identify the best conditions using oxalic acid for hydrolysis of hemicellulose in oil palm empty fruit bunch (OPEFB)biomass.Methods: The analytical method of high-performance liquid chromatography (HPLC) was using a SUPELCOSIL LC-NH2 column, refractive indexdetection detector, and three compositions of the mobile phase...
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Background: Dipeptidyl peptidase-4 (DPP4) is an enzyme responsible for inactivating the hormone incretin, which potentiates insulin secretion andglucagon inhibition; inhibitors of DPP4 are used as therapeutic drugs for type-2 diabetes.Objective: In this study, we evaluated potential DPP4 inhibitors from the Indonesian Medicinal Plants Database usin...
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Objective: The emergence of malaria as a global health problem over the past few decades, accompanied by the rise of chemoresistant strains ofPlasmodium falciparum, has emphasized the need for the discovery of new therapeutic drugs against this disease. In this study, enantiomericallyenriched (enantioenriched) analogs of triclosan were synthesized...
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Objective: Human immunodeficiency virus (HIV) targets the immune system and weakens immune surveillance and defenses against infections,leading to acute immunodeficiency syndrome. Recent trends in drug discovery from natural sources emphasize investigations of compounds frommarine ecosystems.Methods: In this study, we compiled a database of chemica...
Article
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Objective: New psychoactive substances (NPS) have been rapidly developed to avoid legal entanglement. In 2013–2018, the number of cathinonederivedcompounds increased from 30 to 89. In 2016, of 56 NPS compounds, 21 were identified as cannabinoid-derived; only 43 were regulated inthe narcotics law. Artificial intelligence, such as machine and deep le...
Article
Background: The alkylating agent cyclophosphamide is used in chemotherapy regimens for various type of cancer. However, cyclophosphamide may lead to toxic side effects on the bladder, namely hemorrhagic cystitis, which can cause hematuria and, potentially, bladder cancer. These effects are caused by acrolein, a byproduct of cyclophosphamide metabo...
Preprint
Full-text available
Background: Dipeptidyl Peptidase-4 (DPP-4) inhibitors are becoming an essential drug in the treatment of type 2 diabetes mellitus, but some classes of these drugs have side effects such as joint pain that can become severe to pancreatitis. It is thought that these side effects appear related to their inhibition against enzymes DPP-8 and DPP-9. Obje...
Preprint
Full-text available
Background: Dipeptidyl Peptidase-4 (DPP-4) inhibitors are becoming an essential drug in the treatment of type 2 diabetes mellitus, but some classes of these drugs have side effects such as joint pain that can become severe to pancreatitis. It is thought that these side effects appear related to their inhibition against enzymes DPP-8 and DPP-9. Obje...
Article
Full-text available
Objective: This study aimed to increase the yield of microcrystalline cellulose (MCC) from kapok pericarpium alpha-cellulose produced by enzymatic hydrolysis using purified cellulase from Termites (Macrotermes gilvus) and to compare the characteristics with the reference product. Methods: In this research, MCC was prepared from kapok pericarpium po...
Article
Objective: This study aimed to increase the yield of microcrystalline cellulose (MCC) from kapok pericarpium alpha-cellulose produced by enzymatic hydrolysis using purified cellulase from Termites (Macrotermes gilvus) and to compare the characteristics with the reference product. Methods: In this research, MCC was prepared from kapok pericarpium po...
Article
Full-text available
OBJECTIVE: Nowadays, There hasn’t any three-dimensional (3D) chemical structure database yet for biologically active compound in sponges from Indonesian origin. Therefore, this study aimed to create in silico a 3D-structure database of such compound and to evaluate the preferred software for this purpose. METHODS: 2D- structure of selected compou...
Article
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The present research work aims to compare the homology model and recent X-ray crystal structure of dopamine D 2 receptor (PDB Code: 6CM4) as well as to validate the virtual screening protocol for antagonist compounds. The comparison involved the sequence similarity and the capability of both proteins to produce similar risperidone binding pose with...
Article
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Binding free energy (ΔG bind ) computation can play an important role in prioritizing compounds to be evaluated experimentally on their affinity for target proteins, yet fast and accurate ΔG bind calculation remains an elusive task. In this study, we compare the performance of two popular end-point methods, i.e., linear interaction energy (LIE) and...
Article
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Sirtuin 1 (SIRT1) is a class III family of protein histone deacetylases involved in NAD+-dependent deacetylation reactions. It has been suggested that SIRT1 activators may have a protective role against type 2 diabetes, the aging process, and inflammation. This study aimed to explore and identify medicinal plant compounds from Indonesian Herbal Dat...
Article
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This study aimed to predict the potential activity and interaction conformation of polyphenolic compounds from Peperomia pellucida (L) Kunth (nine compounds) with angiotensin-converting enzyme (ACE) macromolecule by in silico molecular docking study. The crystal structure of ACE as a molecular target was obtained from the PDB database (PDB ID: 1UZF...
Article
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Objective: To isolate, identify, and evaluate a new angiotensin-converting enzyme inhibitor from Peperomia pellucida (L.) Kunth herbs. Methods: A dried sample of Peperomia pellucida herb was successively macerated with n-hexane and ethyl acetate. The ethyl acetate extract solution was evaporated to obtain the crude extract. Vacuum liquid column chr...
Article
Full-text available
Objective: To isolate, identify, and evaluate a new angiotensin-converting enzyme inhibitor from Peperomia pellucida (L.) Kunth herbs. Methods: A dried sample of Peperomia pellucida herb was successively macerated with n-hexane and ethyl acetate. The ethyl acetate extract solution was evaporated to obtain the crude extract. Vacuum liquid column chr...
Article
Full-text available
Objective: This study aimed to increase the yield of microcrystalline cellulose (MCC) made from water hyacinth ɑ-cellulose by enzymatic hydrolysis by using purified enzyme and to find it’s characteristics compared to the reference. Methods: In this research, MCC was prepared from water hyacinth powder through the chemical isolation process of ɑ-cel...
Article
Objective: This study aimed to increase the yield of microcrystalline cellulose (MCC) made from water hyacinth ɑ-cellulose by enzymatic hydrolysis by using purified enzyme and to find it's characteristics compared to the reference. Methods: In this research, MCC was prepared from water hyacinth powder through the chemical isolation process of ɑ-cel...
Chapter
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Adenosine is a neuromodulator that regulates the body's response to dopamine and another neurotransmitter in the brain that is responsible for motoric, emotion, learning, and memory function. Adenosine is a G-protein-coupled receptor and has four subtypes, which are A 1, A 2A , A 2B , and A 3. Adenosine A 2A is located in the striatum of the brain....
Article
Objective: The importance of SIRT1 activator's role in antidiabetic and anti-aging therapies is widely demonstrated. Drug discovery and development are time consuming. Drug design can be performed in silico using molecular dynamic approaches to accelerate and facilitate identification of the best compound candidates and their physicochemical charac...
Article
Full-text available
Reaksi obat yang tidak dikehendaki (ROTD) adalah salah satu penyebab akseptor menghentikan penggunaan kontrasepsi. Penghentian kontrasepsi dapat meningkatkan kejadian kehamilan yang tidak dikehendaki. Penelitian ini bertujuan untuk mengetahui perbandingan kejadian ROTD dari penggunaan kontrasepsi suntik tunggal (Depo Medroksi Progesteron Asetat) da...
Article
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Objective: This study was carried out to evaluate the phytochemical constituents and tyrosinase inhibitory activity of Cassia fistula leaves.Methods: A tyrosinase inhibitory activity assay was performed by measuring the decrease in the intensity of color suggestive of the inhibition ofdopachrome formation resulting from the L-DOPA-tyrosinase reacti...
Article
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Objective: This study aimed to investigate the interactions of DNA methyltransferase (DNMT) enzymes and potential ligands as DNMT inhibitorsthrough molecular dynamics simulations.Methods: This study was conducted using tools in the form of hardware (primary and secondary computers) and software (OpenBabel, AutoDockTools, Amber MD, Amber Tools, VMD,...
Article
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Objective: This study aimed to find the herbal compounds from the database of Indonesian herbs with potential for use as histone deacetylase 2 (HDAC2)enzyme inhibitors through virtual screening using the LigandScout program.Methods: Virtual screening was conducted using LigandScout 4.09.3, AutodockZN, and AutoDockTools.Results: The virtual screenin...
Article
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Background: Phyllanthus niruri, in Indonesia, is known as "Meniran" has a long history of use in ethnic or traditional medicine worldwide, mainly as an antihypertensive agent. Objective: The present study was designed to isolate and identify active compounds with angiotensin-converting enzyme (ACE) inhibition activity from P. niruri herb and confir...
Article
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A multivariate analysis of the quantitative relationship of antioxidant structure and activity of a series of benzoic acid derivatives based on computational chemical properties was calculated. The parameters were obtained from the optimized structure of ionization pKa and hydrophobic ClogP while the compound activity was obtained from the literatu...
Article
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Background: Murine Double Minute-2 (MDM2) overexpression causes the p53 deficiency, so the role p53 as a cell regulator does not work in the case of cancer. Methods: In this study, virtual screening of Indonesian herbal database to discover MDM2 inhibitors was carried out. Autodock and Autodock Vina validated with Directory of Useful Decoy-Enhanced...
Article
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Objective: The purpose of this study was to observe the difference of extraction method (both conventional and non-conventional) based on metabolite profile using UPLC-QToF-MS/MS system from Peperomia pellucida (L.) Kunth. Methods: Dried samples were extracted using the conventional maceration method and the optimum ofionic liquid-based microwave-a...