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Sintesis Tiga Peptida Bergugus Pelindung sebagai Prekursor Komponen Vaksin Influenza Universal Subroto, Toto; Hardianto, Ari; Kahari, Abdul Alim; Pradnjaparamita, Tika
Jurnal Natur Indonesia Vol 15, No 2 (2013)
Publisher : Lembaga Penelitian dan Pengabdian kepada Masyarakat Universitas Riau

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (533.702 KB) | DOI: 10.31258/jnat.15.2.84-91

Abstract

Current highly effective conventional vaccine to halt the spread of bird flu has not been invented yet because of susceptiblemutation of influenza virus. In spite of undergoing mutation which causes the amino acid sequence change, influenzaviruses maintain conservation at ectodomain of M2 protein, especially M2e(2-16) (SLLTEVETPIRNEW). The use ofconserved epitope M2e(2-16) in epitope-based vaccine potentially produces universal influenza vaccine. In designingepitope-based vaccine, the M2e(2-16) needs to be coupled with T helper epitope, P25, which is subsequently mentioned asM2e(2-16)-K-P25 (SLLTEVETPIRNEWGKKKL IPNASLIENCTKAEL). The M2e(2-16)-K-P25 was synthesized usingconvergent solid phase peptide synthesis strategy because of the size of the sequence. In this strategy, four peptideprecursors of M2e(2-16)-K-P25; SLLTEVETP (F1), IRNEWGK (F2), KLIPNASLI (F3), and ENCTKAEL (F4); were synthesizedin advance. After the precursors ready, coupling reaction was performed to obtain M2e(2-16)-K-P25. In the previousresearch, F3 has been obtained in high purity through Fmoc/tBu solid phase peptide synthesis method. In this conductedresearch, the three remaining precursors; F1, F2, and F4; were synthesized by the same method. Each peptide was analysedby thin layer chromatography, HPLC, and mass spectroscopy methods. F1, F2 and F4 were successfully synthesized andeach of them was detected at 1490.0, 1874.8 and 1881.9 amu, respectively. However, F1 was not possible to purify becauseof its insolubility in various solvents.
Development of Predictive Model for Helper T Lymphocyte Epitope Binding to HLADRB1* 01:01 Ari Hardianto; Muhammad Yusuf
Chimica et Natura Acta Vol 7, No 2 (2019)
Publisher : Departemen Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (541.831 KB) | DOI: 10.24198/cna.v7.n2.23713

Abstract

Epitopes are essential peptides for immune system stimulation, such as governing helper T lymphocyte (HTL) activation via antigen presentation and recognition. Current predictive models for epitope selection mainly rely on the antigen presentation, although HTLs only recognize 50% of the presented peptides. Thus, we developed a HTL epitope predictor which involves the antigen recognition step. The predictor is specific for epitopes presented by Human Leukocyte Allele (HLA)-DRB1*01:01, which is protective against developing multiple sclerosis and association with autoimmune diseases. As the data set, we used binding register of immunogenic and non-immunogenic HTL peptides related to HLA-DRB1*01:01. The binding registers were obtained from consensus results of two current HLA-binder predictors. Amino acid descriptors were extracted from the binding registers and subjected to random forest algorithm. A threshold optimization were applied to overcome data set imbalance class. In addition, descriptors were screened by using a recursive feature elimination to enhance the model performance. The obtained model shows that the hydrophobicity, steric, and electrostatic properties of epitopes, mainly at center of binding registers, are important for the TCR recognition as well as the HTL epitopes predictive model. The model complements current HLA-DRB1*01:01-binder prediction methods to screen immunogenic HTL epitopes.
Mutation and Phylogenetic Analysis of Spike Glycoprotein of Indonesian Isolates of Severe-Acute-Respiratory-Syndrome-Coronavirus-2 (SARS-CoV-2) Shabarni Gaffar; Syifa Al Fauziah Rahmani; Ari Hardianto
Majalah Kedokteran Bandung Vol 53, No 1 (2021)
Publisher : Faculty of Medicine, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15395/mkb.v53n1.2230

Abstract

Coronavirus disease-2019 (COVID-19) is an infectious acute respiratory disease caused by SARS-CoV-2. The protein that plays a role in the entry of SARS-CoV-2 into human cells is the surface protein, or the Spike, which is thought to be the effective vaccine target to prevent SARS-CoV-2 infection. Until December 2020, Indonesia has reported 106 SARS-CoV-2 genome sequences identified from COVID-19 positive patients. The purpose of this study was to analyze the phylogenetic relationship of the Spike protein of the Indonesian isolates of SARS-CoV-2 Indonesian, as well as the virus mutations and their effects on changes in the amino acid. The 106 Indonesian SARS-CoV-2 genomes were downloaded from GISAID and  the Spike nucleotide and amino acid sequences were analyzed by multiple sequence alignment (MSA) and mutation analysis using the ClustalW method. Phylogenetic trees were created using the Neighbor-Joining method in MEGA-X software. The results showed that 30 of the 106 Indonesian isolate SARS-CoV-2 Spike were 100% identical to the Wuhan-Hu-1, while the remaining 76 had experienced mutations at 1-4 sites. There were 43-point mutations in the Spike gene, 27 of which led to amino acid changes and four had not been reported in other countries. The global mutation D614G was found in 60 Indonesian isolates , of which West Java was the province with the most reports. The phylogenetic of Spike showed that the Indonesian samples have been divided into several branches that are far from Wuhan-Hu-1. This study indicates the possibility of differences in the protein structure of Indonesian isolate SARS-CoV-2 Spike that need to be further studied to manufacture a vaccine against the Indonesian strain of SARS-CoV-2.
Exploring the Potency of Nigella sativa Seed in Inhibiting SARS-CoV-2 Main Protease Using Molecular Docking and Molecular Dynamics Simulations Ari Hardianto; Muhammad Yusuf; Ika Wiani Hidayat; Safri Ishmayana; Ukun Mochammad Syukur Soedjanaatmadja
Indonesian Journal of Chemistry Vol 21, No 5 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.65951

Abstract

Coronavirus disease (COVID-19) is a pandemic burdening the global economy. It is caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2). Black cumin (Nigella sativa) seed may contain antivirals for the disease since it was reported to inhibit the human immunodeficiency virus (HIV) and hepatitis C virus (HCV). Main protease (Mpro) is a vital protein for viral replication and a promising target for COVID-19 drug development. Hence, in this study, we intended to uncover the potency of N. sativa seed as the natural source of inhibitors for SARS-CoV-2 Mpro. We collected secondary metabolites in N. sativa seed through a literature search and employed Lipinski’s rule of five as the initial filter. Subsequently, virtual screening campaigns using a molecular docking method were performed, with N3 inhibitor and leupeptin as reference ligands. The top hits were analyzed further using a molecular dynamics simulation approach. Molecular dynamics simulations showed that binding affinities of nigellamine A2 and A3 to Mpro are comparable to that of leupeptin, with median values of -43.9 and -36.2 kcal mol–1, respectively. Ultimately, this study provides scientific information regarding N. sativa seeds’ potency against COVID-19 and helps direct further wet experiments.
Selection of the Parameters in the Synthesis of Ethylenediamine-Folate Using the Plackett Burman Design Erianti Siska Purnamasari; Linda Septiana; Ari Hardianto; Ukun Mochammad Syukur Soedjanaatmadja; Anni Anggraeni; Husein Hernadi Bahti
Indonesian Journal of Chemistry Vol 22, No 3 (2022)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.68313

Abstract

This study is concerned with synthesizing ethylenediamine-folate (EDA-Folate), which will then be used as a precursor in synthesizing Gd-PEG-DOTA-Folate, a novel targeted-contrast agent for the diagnosis of cancer, employing the Magnetic Resonance Imaging method. This study aims to determine all the parameters affecting the synthesis of EDA-Folate using the Plackett Burman design. The synthesis method included activation of folic acid using dicyclohexylcarbodiimide and N-Hydroxysuccinimide to result in NHS-Folate, followed by conjugation of ethylenediamine with NHS-Folate to produce EDA-Folate. Analysis of the reaction product confirmed that the reaction product was EDA-Folate. From the resulted data, it can also be concluded that there were four significant parameters (out of the ten parameters studied) in the synthesis of EDA-Folate (with its value presented in the bracket), i.e., time inactivation of NHS-Folate (24 h), stirring rate inactivation of NHS-Folate (300 rpm), the mole of EDA (12 moles), and time of EDA-Folate (12 h). Moreover, the value or desirability of the experimental design was found to be 0.875 (which is < 1.0), meaning that the design will produce optimal conditions and thus the optimal yield of the reaction.
SINTESIS PEPTIDA P251-9 BERGUGUS PELINDUNG DENGAN METODE SINTESIS PEPTIDA FASA PADAT FMOC/TBU MENGGUNAKAN ADITIF OKSIMA Ari Hardianto; Toto Subroto; Unang Supratman
Jurnal Sains dan Terapan Kimia Vol 5, No 2 (2011)
Publisher : Program Studi Kimia, Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (254.792 KB) | DOI: 10.20527/jstk.v5i2.2097

Abstract

Peptida P25 merupakan epitop yang dapat dengan mudah mengaktivasi sel T penolong. Sel T penolong teraktivasi berperan dalam aktivasi sel B untuk membentuk antibodi. Peptida bahkan protein dapat dibuat dengan metode sintesis peptida fasa padat Fmoc/tBu menggunakan aditif HOBt. Namun sayangnya HOBt memiliki karakter yang mudah meledak. Pada penelitian ini telah berhasil disintesis bagian epitop P25 (peptida P251-9 bergugus pelindung) yang memiliki tingkat kemurnian tinggi dan perolehan 36,4% dengan metode sintesis peptida fasa padat Fmoc/tBu menggunakan aditif oksima pengganti HOBt. Kata kunci: Epitop, P251-9, sintesis peptida fasa padat Fmoc/tBu, oksima. 
The Effect of Acetonitrile Solvent on the Quantitative Determination of Europium (III) by Voltammetry and its Optimization using the Box-Behnken Design Uji Pratomo; Ari Hardianto; Yeni Wahyuni Hartati; Husein Hernandi Bahti; Santhy Wyantuti
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 8, No. 1, May 2022
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v8i1.22508

Abstract

There is often a drawback during the determination of Eu in aqueous solvents using the voltammetric method. The current signal from water can reduce that of the element, which causes difficulty while separating the Eu signal from other rare earth elements (REE). Therefore, this study used acetonitrile as a solvent due to its high electrical conductivity and wide potential range. The optimum conditions for the determination of Eu in acetonitrile using the Box-Behnken design include 74.56 seconds deposition time, 0.125 V amplitude modulation, and -2.0 V potential deposition. The platinum electrode's performance showed a recovery value of 98.91% and accuracy and precision (in %RSD) of 96.67% and 1.11%, respectively. Furthermore, detection and quantitation limits of 0.6 mg/L and 5.1 mg/L were recorded from the analysis. It concluded that the differential pulse voltammetry method was applied to determine the presence of Eu in acetonitrile.
A Study of Chemical Constituents in Platinum Fast-Grown Teak Wood (Tectona grandis) with Age Differences Using Py-GCMS Coupled with Interdependence Multivariate Analysis Maya Ismayati; Dwi Ajias Pramasari; Wahyu Dwianto; Danang Sudarwoko Adi; Nyndia Tri Muliawati; Ratih Damayanti; Narita Ayu Putri Pramesti; Syahrul Ramadhan; Ari Hardianto; Nadia Nuraniya Kamaluddin
HAYATI Journal of Biosciences Vol. 30 No. 2 (2023): March 2023
Publisher : Bogor Agricultural University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.4308/hjb.30.2.380-391

Abstract

Pyrolysis gas chromatography-mass spectrometry (Py-GCMS) is a simple, rapid, and reliable analytical technique to assay lignocellulose biomass. This study aims to analyze the chemical content of various ages of platinum fast-grown teak wood using PyGCMS coupled with interdependence multivariate analysis. Fifty-eight peaks were shown in the pyrogram originating from carbohydrates, lignin, and extractive derivatives. Along with age, platinum fast-grown teak wood showed higher carbohydrate derivatives in heartwood than sapwood. Compared to teak wood grown in conventional (between 36.72-45.69%), platinum fast-grown teak wood has a higher content of carbohydrates (42.82-48.04%). A substantial amount of G-unit lignin was detected in the sapwood, while the S-unit lignin dominated the heartwood. The extractive content of 10-years-old teak wood heartwood was 4.82%, higher than 10- and 20-years-old heartwood from conventional wood (2.23% and 8.88%, respectively). Multivariate analysis of the chemical compound showed that Py-GCMS could be utilized to classify platinum fast-grown and conventional teak wood. 2-methyl anthraquinone (MAQ) content of 10-year-old fast-grown teak wood was 2.5 times higher than 20-year-old conventional teak wood. Based on the study, platinum fast-grown teak wood is promising as alternative wood material to fulfill the market demand for conventional teak wood.
Studi In Silico Aktivitas Senyawa Steroid Terhadap Antikanker Payudara Menggunakan Estrogen Alfa (ER-α) Nurlelasari Nurlelasari; Almas Widyana; Euis Julaeha; Ari Hardianto; Desi Harneti Putri Huspa; Rani Maharani; Tri Mayanti; Darwati Darwati; Muhammad Hanafi; Unang Supratman
ALCHEMY Jurnal Penelitian Kimia Vol 19, No 1 (2023): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.19.1.62384.44-52

Abstract

Kanker payudara merupakan penyebab kedua terbanyak kematian pada wanita akibat kanker setelah kanker paru-paru di seluruh dunia. Steroid merupakan kelompok senyawa aktif yang diantaranya berhasil diisolasi dari genus Chisocheton yang dilaporkan memiliki aktivitas melawan sel kanker payudara MCF-7. Tujuan penelitian ini adalah untuk mengetahui interaksi senyawa steroid terhadap estrogen alfa (ER-α) melalui metode in silico, yaitu penambatan molekul. Pemodelan struktur tiga dimensi (3D) senyawa steroid dilakukan dengan memperhatikan keadaan terprotonasinya pada pH 7,4. Metode in silico divalidasi melalui penambatan ulang struktur kristal ER-α, hingga diperoleh nilai RMSD < 2 Å, dengan program AutoDock 4.2.6. Dengan program yang sama, senyawa-senyawa steroid ditapis dengan metode penambatan molekul. Hasil penapisan menghasilkan nilai energi bebas dari kedua senyawa steroid yaitu -10,08 kkal/mol (7α-hidroksi-β-sitosterol) dan -10,75 kkal/mol (stigmast-5-en-3β-ol), yang nilainya lebih baik dari estradiol (-9,62 kkal/mol), sebagai ligan alami ER-α. Kedua senyawa ini berpotensi untuk menginhibisi estrogen alfa, dimana senyawa stigmast-5-en-3β-ol memiliki potensi yang lebih besar karena nilai energi bebasnya lebih rendah. Hal ini menandakan bahwa modifikasi struktur senyawa mampu mengubah nilai energi ikatan dan interaksi antara ligan dan reseptor.In Silico Study of Steroid Compound Activity Against Breast Cancer Using Estrogen Alpha (ER-α). Breast cancer is the second worldwide leading cause of cancer death in women after lung cancer. Steroids are a group of active compounds isolated from the Chisocheton genus that has activity against MCF-7 breast cancer cells. This study aimed to determine the interaction activity of steroid compounds against alpha estrogen receptor (ER-α) through in silico method specifically mlecular docking. The modeling of the three-dimensional structure (3D) of steroid compounds was performed by considering their protonation states at pH 7.4. The in silico method was validated by redocking the crystal structure of ER-α until obtaining an RMSD value < 2 Å, using the AutoDock 4.2.6 program. Steroids compounds were screened with the same program namely the molecular docking method. Screening results show that the free energy values of the steroid compounds were -10.08 kcal/mol (7α-hydroxy-β-sitosterol) and -10.75 kcal/mol (stigmast-5-en-3β-ol), which are stronger than estradiol (-9.62 kcal/mol) as native ligand of ER-α. Both of these compounds can inhibit the alpha estrogen receptor, in which the stigmast-5-en-3β-ol compound has a greater potential because of its lower free energy value. This finding indicates that modification of the compound's structure could change the binding energy value and interaction between ligands and receptors.
Characterization of Botanical Parts of Erythrina crista-galli Using Pyrolysis-Gas Chromatography/Mass Spectrometry and Multivariate Analysis Abd. Wahid Rizaldi Akili; Ari Hardianto; Jalifah Latip; Maya Ismiyati; Tati Herlina
Indonesian Journal of Chemistry Vol 23, No 4 (2023)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.77325

Abstract

Erythrina crista-galli is commonly used in folk medicines for its pharmacological properties which are associated with the bioactive compounds. Profiling botanical parts of E. crista-galli is an exciting topic and essential to uncover the similarity and clustering based on their chemical content. The botanical parts of E. crista-galli, including bark, flowers, leaves, roots, and twigs, were subjected to pyrolysis-gas chromatography/mass spectrometry. The samples were pyrolyzed using a multi-shot pyrolyzer. The relative abundance of the pyrolysate was subjected to multivariate analysis, i.e., principal component analysis (PCA) and hierarchical cluster analysis (HCA). The scree plot for PC.1, PC. 2, and PC. 3 accounted for 36.5%, 27.2%, and 20.3%, respectively. Together, the first three PCs explain 84% of the total variance. The PCA allows characterizing the roots of E. crista-galli by the highest relative abundance of lignin G, followed by the twigs, bark, and leaves, while the flowers had the least relative abundance of lignin G. The HCA allows to cluster the botanical parts of E. crista-galli into three different clusters based on their chemical component similarity, i.e., flowers-leaves, twigs, and roots-bark. In conclusion, Py-GC/MS analysis can be used in conjunction with multivariate data analysis to characterize the botanical parts of E. crista-galli.