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All Journal JURNAL KIMIA SAINS DAN APLIKASI Jurnal Kedokteran Elkawnie Pharmauho: Jurnal Farmasi, Sains, dan Kesehatan Pro Food Lantanida Journal Al-Kimia Acta Pharmaciae Indonesia : Acta Pharm Indo Majalah Farmaseutik Indonesian Journal of Chemistry Jurnal Agrotek UMMat JCES (Journal of Character Education Society) WIDYABHAKTI Jurnal Ilmiah Populer J-Dinamika: Jurnal Pengabdian Kepada Masyarakat Acta Chimica Asiana Amina Lumbung Farmasi : Jurnal Ilmu Kefarmasian SPIN: Jurnal Kimia & Pendidikan Kimia Jurnal Ilmiah Abdi Mas TPB Unram Journal of Multidisciplinary Applied Natural Science Sasambo Journal of Pharmacy INDRA: Jurnal Pengabdian kepada Masyarakat Journal of Molecular Docking Jurnal Pijar MIPA Jurnal Pendidikan dan Pengabdian Masyarakat Molekul: Jurnal Ilmiah Kimia
Agus Dwi Ananto, Agus
Universitas Mataram
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Social Sciences Other

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Chemical Constituents of Buah Makasar [Brucea Javanica (L) Merr] Leaves and Seed Extract Handa Muliasari; Candra D Hamdin; Agus Dwi Ananto; Muhsinul Ihsan
Acta Chimica Asiana Vol. 2 No. 2 (2019)
Publisher : Chemistry Education Program, the University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (107.377 KB) | DOI: 10.29303/aca.v2i2.10

Abstract

Buah Makasar [Brucea javanica (L) Merr] is one of the local plants in Lombok Island that is traditionally used for diabetic medication. The purpose of this research was to identify the chemical constituents containing in methanol leaves and seed extract of Buah Makasar. The methods used were phytochemical screening for some groups of chemical compounds and GC-MS analysis. The result of phytochemical screening showed that methanol extract of B. javanica seed contains alkaloids, terpenoids, and tannin with a high intensity; while the leaves extract contains alkaloids, flavonoids, steroids, tannin, and saponin. The differences of chemical compositions in the leaves and seed extract may give them have different bioactivities. GC-MS analysis showed some fatty acids containing in the seed extract such as stearic acid and palmitic acid.
QSAR treatment of meisoindigo derivatives as a potentbreast anticancer agent Evie Kama Lestari; Agus Dwi Ananto; Maulida Septiyana; Saprizal Hadisaputra
Acta Chimica Asiana Vol. 2 No. 2 (2019)
Publisher : Chemistry Education Program, the University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (515.646 KB) | DOI: 10.29303/aca.v2i2.12

Abstract

A quantitative structure-activity relationship (QSAR) analysis of meisoindigo derivatives as a breast anticancer has been carried out. This study aimed to obtain the best QSAR model in order to design new meisoindigo based compounds with best anticancer activity. The semiempirical PM3 method was used for descriptor calculation. The best QSAR model was built using multilinear regression (MLR) with enter method. It was found that there were 19 new meisoindigo derivativeswith better predictive a potent anticancer agent. The best compound was (E)-2-(1-((3-ethylisoxazol-5-yl)methyl)-2-oxoindolin-3-ylidene)-N-(4-methoxyphenyl)acetamide with the value of IC505.31144 x10-15 (μM).
Prediction of Xanton Derivatives as Anti Heart Cancer using In Silico Quantitative Structure-Property Relationships Royana Ari Pratiwi Putri; Agus Dwi Ananto; I Made Sudarma
Acta Chimica Asiana Vol. 2 No. 1 (2019)
Publisher : Chemistry Education Program, the University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v2i1.28

Abstract

Quantitative Structure-Activity Relationship (QSAR) study have been performed on Xanthone derivatives as anti-cancer activity. The objectives of this research is to design a new Xanthone derivatives from the best QSAR equation model. The data set were taken from the previous study, involving 41 Xanthone derivatives and their biology activities in Inhibitor Concentration 50 % (IC50). The parameters (descriptors) were calculated by semiempirical PM3 method. The selection of the best QSAR equation models was determined by multilinear regression analysis. The best linear equation resulted from that analysis is: Log 1/IC50 = 13,099 + 2,837 qC1 + 0,098 qC2 + 11,214 qC10 + 2,065 qC13 – 1,236 qC14 + 35,356 qO15 + 0,001 (vol) – 0,025 (log P) + 0,283 (dipole) n = 41; r = 0.735; adjusted r2 = 0.360; Fhit/Ftab = 1.2911; PRESS = 5.0089. Based on that model, a new Xanthon derivatives has been design which show better predicted biology activity (log 1/IC50= 15,0863), new derivatives have the log 1/IC50 higher than the old one (log 1/IC50= 9). This result indicated that new Xanthone derivatives has potential to developed as new anti-cancer drug
The Effect of Stirring Speeds to the Entrapment Efficiency in a Nanoparticles Formulation of Java Plum’s seed Ethanol Extract (Syzygium cumini) Widayanti Supraba; Yohanes Juliantoni; Agus Dwi Ananto
Acta Chimica Asiana Vol. 4 No. 1 (2021)
Publisher : The University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v4i1.50

Abstract

Java Plum’s (Syzygium cumini) seed contains flavonoids in the form of quercetin. Quercetin plays an essential role in stimulating insulin production from pancreatic beta cells. However, it could be easily degraded by gastric acid or the digestive system. Thus, in this research, a good delivery system for quercetin will be established, namely nanoparticles. The study objectives are determining the entrapment efficiency’s percentage of nanoparticle preparations from ethanol extracts of Java Plum’s seeds as well as observing the effect of stirring speed on the percentage of entrapment efficiency. Java Plum’s seed extract was obtained by maceration method using ethanol 70% with the ratio between the simplicial powder and solvent is 1 : 4 respectively. Meanwhile, the solvent evaporation process was undergone by using a water bath with temperature not exceeding 70°C. The nanoparticle formulation of Java Plum’s seed extract was made by adding polymers in the form of chitosan and sodium tripolyphosphate cross-linker with three variations of stirring speed (500, 1000, and 1500 rpm) using a magnetic stirrer. The percentage of entrapment efficiency was obtained by subtracting the flavonoids levels of Java Plum’s seeds extract and flavonoids levels of Java Plum’s seeds extract in nanoparticles. Then, the value was divided by flavonoids levels of Java Plum’s seeds extract and multiplied by 100%. Quercetin levels obtained by absorbance readings using spectrophotometry UV-Visible, then absorbance value added into variable X on equation quercetin’s standard curve y = 0,0229x + 0,0644. The results show that the percentage of entrapment efficiency at speed variations of 500, 1000, and 1500 rpm are 48.8459%, 49.1064%, and 56.0413% respectively. According to the t-test two independent samples statistical test, the data has a 0.961 probability value (500 rpm vs 1000 rpm), 0.324 probability value (1000 rpm vs 1500 rpm), 0.25 (500 rpm vs 1500 rpm). Probability value > 0.05, which means the stirring speed does not significantly influence the percentage of entrapment efficiency.
Molecular Study of Antiviral Compound of Indonesian Herbal Medicine as 3CLpro and PLpro Inhibitor in SARS-COV-2 Baiq Ressa Puspita Rizma; Yek Zen Mubarok; Dian Fathita Dwi Lestari; Agus Dwi Ananto
Acta Chimica Asiana Vol. 4 No. 2 (2021)
Publisher : The University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/aca.v4i2.74

Abstract

Rapid transmission of COVID-19 disease and the fatal effects of the disease lead researchers to use various way to find potential anti-COVID-19 compounds, including using modern approaches. Molecular docking is one of the methods that can be used to analyse antiviral compounds and its molecular target from Indonesian herbs that are believed to have properties as anti-COVID-19. This study aims to analyse antiviral compounds from 5 herbs that have the potential as inhibitors of PLpro and 3CLpro, which both are a non-structural protein in SARS-CoV-2 by molecular docking approach using PLANTS. Remdesivir triphosphate, the active metabolite of remdesivir, was used as the comparison compound in studies. The results showed docking scores obtained from interactions between natural ligands, remdesivir trifospat, curcumin, demetoksikurkumin, bisdemetoksikurkumin, luteolin, apigenin, kuersetin, kaempferol, formononrtin-7-O-glucoronide, androgafolide, and neoandrogafolide with PLpro are as follows -111,441, -103,827, -103,609, -102,363, -100,27,-79,6655, -78.6901, -80.9337, -79.4686, -82.1124, -79.1789, and -97.2452.Combination between quercetin, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin, and curcumin showed a synergy effect by reduce its docking score. Meanwhile its interaction with the protein 3CLpro showed docking score for those compounds as follows 64.0074, -86.1811, -81.428, -87.1625, -78.2899, -73.4345,-70,3368, -71.5539, -68.4321, -72.0154, -75.9777 and -93.7746.Combination between andrographolide, neoandrographolide, bisdemethoxycurcumin, demetoxycurcumin and curcumin, also shows synegy effect in 3CLpro allow them to reduce the docking score.This study concludes that curcumin was known as the most potent compound that act as a PLpro inhibitor based on a docking score of -103,609, while in 3CLpro all the compound have a potential to inhibit 3CLpro with demethosxycurcumin and  neoandrogafolide as the most potent compound with a docking score -87,126 and -93.7746.
Perbandingan Kadar Kurkumin Di Rimpang Kunyit (Curcuma Longa L.) Pada Beberapa Lokasi Tumbuh Di Pulau Lombok Dwiki Setyo Nugroho; Dyke Gita Wirasisya; Agus Dwi Ananto
Pharmauho: Jurnal Farmasi, Sains, dan Kesehatan Vol 7, No 2 (2021): Pharmauho
Publisher : Fakultas Farmasi Universitas Halu Oleo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33772/pharmauho.v7i2.11997

Abstract

Kunyit (Curcuma longa L.) merupakan tanaman yang sering digunakan untuk pengobatan di Indonesia. Tanaman ini memiliki kandungan kurkumin yang memiliki bergam aktivitas farmakologis. Perbedaan lokasi tumbuh dapat mempengaruhi kadar metabolit sekunder. Penelitian ini bertujuan untuk menetapkan kadar kurkumin dari sebuk simplisia rimpang kunyit yang diambil di beberapa daerah di pulau lombok, sampel diekstrak menggunakan pelarut etanol 96% dengan perbandingan 1:10 antara serbuk dengan pelarut, kemudian pelarut diuapkan untuk mendapatkan ekstrak kental. Kadar kurkumin dihitung dengan menggunakan metode spektrofotometri UV-Vis. Hasil perhitungan diperoleh kadar kurkumin tertinggi yaitu Kabupaten Lombok Utara sebesar 39,5341 g/ 100g, diikuti oleh Kabupaten Lombok Barat sebesar 28,8039 g/ 100g, Kabupaten Lombok Tengah sebesar 18,5185 g/ 100g, dan Kabupaten Lombok Timur 8,0655 g/ 100g. Dilanjutkan validasi data berupa parameter perolehan kembali SD, CV, LoD dan LoQ dengan hasil yang baik.
Studi Aktivitas Tanaman Herbal Sebagai Salah Satu Alternatif Anticovid-19 agus dwi ananto; Handa Muliasari; Rizqa Fersiyana Deccati
Majalah Farmaseutik Vol 19, No 1 (2023)
Publisher : Faculty of Pharmacy, Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/farmaseutik.v19i1.70374

Abstract

Corona Virus Disease 2019 (COVID-19) belakangan ini menjadi topik penyakit yang sangat diperbincangkan. Penggunaan obat-obatan yang biasa digunakan untuk penanganan virus Corona terdahulu yaitu SARS-CoV dan Middle East Respiratory Syndrome Coronavirus (MERS-CoV) menjadi salah satu alternative yang bisa dilakukan, hal ini dikarenakan adanya kemiripan genome diantara ketiga jenis virus ini. Penelitian ini bertujuan untuk menganalisis potensi interaksi antara senyawa-senyawa yang terdapat pada beberapa tanaman herbal di Indonesia yang sebagai antiCOVID-19 yang bekerja sebagai inhibitor 3CLpro dan PLpro virus SARS-CoV-2 dengan reseptor target menggunakan metoda in silico. Metode yang digunakan pada penelitian ini yaitu dengan menggunakan pendekatan insilico yang akan mengkaji hubungan interaksi senyawa yang terdapat dalam tanaman dengan reseptor target dilihat dari pendekatan visual berbasis komputasi. Hasil yang diperoleh pada penelitian ini adalah untuk target protein PLpro didapat senyawa seperti 6-gingerol dengan skor docking -99,011dibandingkan dengan senyawa pembanding  sebesar -101,771. Sedangkan untuk target 3CLpro didapat senyawa kombinasi antara citral, xanthorrhizol, curcumin, dan  6-gingerol dengan skor docking -78,735 sedangkan pembandingnya sebesar -87,026. Berdasarkan hasil visualisasi terlihat adanya interaksi antara senyawa-senyawa tersebut dengan residu asam amino. Berdasarkan hasil tersebut dapat disimpulkan bahwa beberapa senyawa dari bahan alam seperti curcumin,  6-gingerol  dan androgapolide serta kombinasi dari beberapa senyawa bahan alam memiliki potensi untuk dikembangkan sebagai anticovid-19. 
Design New Compound of Meisoindigo Derivative as Anti Breast Cancer Based on QSAR Approach Agus Dwi Ananto; Handa Muliasari; Saprizal Hadisaputra
Jurnal Kimia Sains dan Aplikasi Vol 23, No 9 (2020): Volume 23 Issue 9 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (46.117 KB) | DOI: 10.14710/jksa.23.9.305-311

Abstract

Design new compounds of Meisoindigo using the QSAR approach with semiempirical methods have been successfully made with better biological activity as anti-breast cancer results. The research method used to design the new compound of meisoindigo derivatives uses the semiempirical methods. The research procedure divide into tree step, molecular modeling, QSAR equation analysis, and design of new compounds. The PM3 method was chosen as a better method because it has model results that are more representative of physicochemical aspects. The selection of the best model is made by multilinear regression statistical analysis. New compounds derived from the design are expected to bind to the Cyclin-Dependent Kinase 4 (CDK4) enzyme that helps in the cell cycle to prevent cell division. Based on the design, the compound of (E)-2-(2-oxo-1-(2-(trifluoromethyl) benzyl)indolin-3-ylidene)-N-(quinoline-7-yl) acetamide choose as a new compound with more better biological activity (log 1/IC50 = 6.992) than before (log 1/IC50 = 5.823)
EDUKASI DAN DETEKSI DINI DIABETES MELLITUS SEBAGAI UPAYA MENGURANGI PREVALENSI DAN RESIKO PENYAKIT DEGENERATIF Handa Muliasari; Candra Dwipayana Hamdin; Agus Dwi Ananto; Muhsinul Ihsan
Jurnal Pendidikan dan Pengabdian Masyarakat Vol. 2 No. 1 (2019): Februari
Publisher : FKIP Universitas Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (190.029 KB) | DOI: 10.29303/jppm.v2i1.1018

Abstract

Diabetes Mellitus (DM) merupakan penyakit yang tidak dapat disembuhkan dan membutuhkan pengelolaan seumur hidup dalam mengontrol kadar gula darah agar dapat meningkatkan kualitas hidup penderita. Kurangnya pengetahuan masyarakat terhadap bahaya penyakit diabetes mellitus, pencegahannya, dan pengendaliannya menyebabkan penyakit ini semakin banyak terjadi di masyarakat. Tujuan kegiatan pengabdian masyarakat ini adalah untuk meningkatkan pengetahuan masyarakat tentang penyakit DM dan melakukan deteksi dini DM. Peserta kegiatan pengabdian adalah orang tua/wali murid di TK Pancasila Narmada Kabupaten Lombok Barat. Program pengabdian meliputi edukasi atau penyuluhan tentang penyakit DM, pemeriksaan gula darah sewaktu dan tekanan darah, serta diskusi dan pendampingan tentang DM. Berdasarkan hasil kegiatan penyuluhan, sejumlah 45 orang peserta telah menerima informasi mengenai DM dengan baik.. Deteksi dini diabetes mellitus dilakukan dengan pemeriksaan gula darah sewaktu menghasilkan sejumlah 9,10 % peserta mengalami diabetes, sejumlah 36,40% peserta mengalami pre diabetes, dan 63,60% memiliki kadar gula darah sewaktu dalam kadar normal. Peserta yang mengalami diabetes juga mengalami hipertensi.
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
Co-Authors Agus saputra Anjar Purba Asmara Baiq Ressa Puspita Rizma Baiq Ressa Puspita Rizma Baiq Sofianti Annisa Candra D Hamdin Candra Dwipayana Hamdin Candra Dwipayana Hamdin Candra Eka Puspitasari Deccati, Rizqa Fersiyana Dian Fathita Dwi Lestari Diantama Hiraswari Rahmadari Diva Almira Dwiki Setyo Nugroho Dyke Gita Wirasisya Erwinayanti, Gusti Ayu Putu Sri Eti Nurwening Sholikhah Evie Kama Lestari Fitria, Anggit Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Handa Muliasari Harno Dwi Pranowo I Made Sudarma Iman Surya Pratama Jumina Jumina Kurniawan, Yehezkiel Steven Lalu Aang Robby Dewantara Lalu Husnul Hidayat Lalu Sanik Wahyu F. A Lalu Undrus Yusditia M. G Luh Putu Gina Sri Budiani Maulida Septiyana Mudasir Mudasir Muhsinul Ihsan Muhsinul Ihsan Muhsinul Ihsan Muliasari, Handa Muliasari, Handa Murniyati Murniyati Murniyati, Murniyati ndayani, Yayuk Ni Made Detia Suryadnyani Nokman Riyanto Prasetyo, Niko Pratama, Iman Surya Rahmatul Aini, Siti Ria Armunanto Rian Jumawardi Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Rizqa Fersiyana Deccati Royana Ari Pratiwi Putri Saprizal Hadisaputra Saprizal Handisaputra Siti Rahmatul Aini Sunarwidhi, Anggit Listyacahyani Suryadnyani, Ni Made Detia Syarah Megianti Fahira Virnia Wanda Utami Wahida Hajrin Wahida Hajrin Widayanti Supraba Winarto Haryadi Windah Anugrah Subaidah Yayuk Andayani Yek Zen Mubarok Yohanes Juliantoni Yohanes Juliantoni Yohanes Juliantoni, Yohanes Yuniarthi Dwi Suputri Yuyun Ramdani