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All Journal HAYATI Journal of Biosciences VALENSI International Journal of Renewable Energy Development JURNAL KIMIA SAINS DAN APLIKASI Jurnal Sains Materi Indonesia Science and Technology Indonesia Jurnal Farmasi Galenika (Galenika Journal of Pharmacy) Chimica et Natura Acta Indonesian Journal of Chemistry Communications in Science and Technology Jurnal Jamu Indonesia Kappa Journal Molekul: Jurnal Ilmiah Kimia International Journal of Renewable Energy Development Borneo Journal of Pharmacy Indonesian Journal of Jamu
Setyanto Tri Wahyudi
Department Of Physics, Faculty Of Mathematical And Natural Sciences, IPB University, IPB Dramaga Campus, Bogor 16680, Indonesia
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Control & Systems Engineering Earth & Planetary Sciences Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics Other

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Coating of Ti-6Al-4V Metal Alloys Nanotube with Hydroxyapatite-Gelatin-Polyvinyl Alcohol Composites using the Dip-Coating Methods Charlena, Charlena; Wahyudi, Setyanto Tri; Nurmawan, Cucu Putri
Chimica et Natura Acta Vol 13, No 1 (2025)
Publisher : Departemen Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/cna.v13.n1.57959

Abstract

The Ti-6Al-4V metal alloy is an implantable material because of its strength, lightweightness, and corrosion resistance properties. Metal alloy surfaces need to be modified to improve corrosion resistance. Therefore, the study aims to modify the surface of Ti-6Al-4V metal alloys to form nanotube structures and to coat the hydroxyapatite composite (HAp)-gelatin-PVA in Ti-6Al-4V metal alloys. Nanotubes were formed by anodizing methods in an ethylene glycol-H2O (9:1) solution containing 0.6% NH4F at 20V for 3 hours. The result of SEM showed that the diameter of the nanotube hole is about 30−40 nm and that it is formed homogeneously. The result of coating nanotube metal alloys with composite HAp-gelatin-PVA is that they are evenly distributed and thicker. The morphology of a homogeneous small granule composite coating composite. The X-ray diffraction showed shows that the composite HAp-gelatin-PVA crystalline size coated on nanotube metal alloy is smaller than that of non-nanotube. Nanotube Ti-6Al-4V coated metal alloy with HAp-gelatin-PVA composites had shows poor bioactivity that had not beenand thus not able to increase the corrosion resistance of Ti-6Al-4V metal alloys.
Novel Compounds Design of Acertannin, Hamamelitannin, and Petunidin-3-Glucoside Typical Compounds of African Leaves (Vernonia amygdalina Del) as Antibacterial Based on QSAR and Molecular Docking Kurniawan, Ilham; Ambarsari, Laksmi; Kurniatin, Popi Asri; Wahyudi, Setyanto Tri
Jurnal Jamu Indonesia Vol. 8 No. 2 (2023): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v8i2.326

Abstract

Antibacterial secondary metabolites such as tannins and their derivatives are found in the Vernonia amygdalina Del. Antibiotic resistance can develop due to overuse, reducing the efficacy of drugs to prevent and treat infections. This research aims to use the Quantitative Structure-Activity Relationship (QSAR) and the semi-empirical method Austin Model 1 (AM1) to design a modified novel compound from African leaves that has improved antibacterial activity. This research includes a descriptor calculation of QSAR using AM1 MOE on typical compounds from African leaves, and calculation results are chosen based on a multilinear regression statistical analysis. The model equation represents the three primary parameters of QSAR, which are electronic, hydrophobic, and steric parameters, which will be used to measure modified compounds. Molecular docking using Autodock Tools (The Scripps Research Institute, USA), and analysis of results of docking Autodock Tools using Discovery Studio 3.5 Client. The best QSAR model obtained is LogEC50 = (0.829 x LogP) - (1,302 x AM1_HOMO) - (0.339 x AM1_dipole) - (5,128 x mr) + (0.145 x vol) - (11,355). The results showed that EC50 prediction of modified hamamelitannin has the best activity with the lowest ΔGbind -9.0 kcal/mol and inhibition constant of 0.249 μM. In summary, the novel compound's design calculation has better antibacterial activity, as indicated by a lower EC50, than fosfomycin or compounds without modification. The modified hamamelitannin compound was found to have better antibacterial activity (prediction EC50 = 0.1933 μM) than the original (experimental EC50 = 145.50 μM).
Pharmacokinetic-Pharmacodynamic Study of Metformin Using Oral Glucose Tolerance Test for the Treatment of Type 2 Diabetes Mellitus Kartono, Agus; Yuantoro, Yandra; Wahyudi, Setyanto Tri; Setiawan, Ardian Arif
Kappa Journal Vol 7 No 3 (2023): Desember
Publisher : Universitas Hamzanwadi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29408/kpj.v7i3.23953

Abstract

In this study, a pharmacokinetic-pharmacodynamic simulation will describe a system of glucose and insulin in the human body based on an oral glucose tolerance test with Metformin treatment. This is presented using the oral glucose tolerance test process by adding glucose absorbed function, insulin secretion in the pancreas, and metformin dose. This model can describe the rate of glucose concentration at the same time as Metformin administration. This model applies to subjects with impaired glucose tolerance (pre-diabetes) and type 2 diabetes mellitus. Experimental data are referenced from research that Møller and co-workers have carried out. This model can describe the reduction rate of glucose. This process reduces hepatic glucose production caused by the glucose absorption rate in peripheral tissues. This model also showed that adding a metformin dose could reduce the glucose concentration. The results of the present model show that the value of the deterministic coefficient (R2) has reached above 95%, which means that the results of the present model are good.
Structural Insights into Mutant and Wild-Type InhA Proteins: Implications for Targeting Tuberculosis and the Role of NAD Cofactors Dwi Iryani, Ryscha; Ahmad, Faozan; Muscifa, Zahra Silmi; Wahyudi, Setyanto Tri
Molekul Vol 20 No 3 (2025)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.jm.2025.20.3.11655

Abstract

ABSTRACT. The high death rate and prevalence of multidrug-resistant tuberculosis (MDR-TB) pose a significant global health challenge. Enoyl-acyl carrier protein reductase (InhA) from Mycobacterium tuberculosis is one of the main targets for drug development to treat tuberculosis. Wever, mutations in the InhA structure found in Mycobacterium tuberculosis are responsible for MDR-TB. The Protein Data Bank (PDB) 3D structure of InhA was used in this study. The PDB has 102 3D structures, with 77 structures for wild-type proteins and 25 structures for mutant proteins. The structures with the best resolution values and most favorable region statistics in Ramachandran plots were selected, and redocking and cross-docking simulations were performed with Autodock Vina software to study the binding affinity of protein-ligand complexes and to assess the impact of mutations on binding affinity. This research also provides insights into the influence of Nicotinamide Adenine Dinucleotide (NAD) cofactors, which increase ligand binding efficiency. The results show how important the NAD cofactor is for improving ligand binding and how mutations can change the therapeutic potential of the found ligands. They also give suggestions for structures that can be used to make drugs that fight multidrug-resistant tuberculosis. Based on the docking results, with an RMSD value of less than 2.00 Å, the structures recommended for the virtual screening stage are 5COQ, 5CP8, and 5OIF for mutant proteins and 2X23, 4BQP, 4D0S, 4OHU, 4OXK, 4TRJ, and 5MTR for the wild-type protein. Keywords: Autodock Vina, Enoyl-acyl carrier protein reductase (InhA), multidrug-resistant tuberculosis (MDR-TB), NAD, Tubercolosis.
Integrative Network Pharmacology and In Silico Analysis of Sauropus androgynus Active Compounds as Potential Supplements Against Childhood Stunting Arwansyah, Arwansyah; Sabang, Sri Mulyani; Tahril, Tahril; Arif, Abdur Rahman; Sakung, Jamaludin Musa; Zubair, Muhammad Sulaiman; Wahyudi, Setyanto Tri
Indonesian Journal of Chemistry Vol 26, No 1 (2026)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.106207

Abstract

Stunted growth remains a critical public health concern, particularly in developing regions. This study investigates the potential of active compounds derived from Sauropus androgynus as dietary supplements for preventing growth stunting, employing a network pharmacology approach. Fifteen phytochemicals were analyzed, leading to the identification of 11 growth-related target proteins. Among them, protein tyrosine phosphatase nonreceptor type 11 (PTPN11) emerged as a key regulatory protein related to cell growth, as determined by protein-protein interaction network analysis. Functional enrichment and pathway analyses further highlighted the relevance of these targets in growth-related mechanisms. Molecular docking was performed to investigate the molecular interactions between the active compounds of S. androgynous and PTPN11. The findings revealed that all compounds could form a complex at the active site of PTPN11. Furthermore, the top five ligands were subjected to MD simulation to evaluate the structural stability of all complexes. Among them, only two lead compounds, such as paeonol and phenylacetaldehyde, are stable in complex with PTPN11 during simulation. The findings suggest that S. androgynus contains promising active compounds that may serve as functional food supplements for preventing stunted growth, highlighting their potential role in improving child growth outcomes among at-risk populations.
In-vitro, In-vivo, and In-silico Studies of Insulinotropic Activity and Cytotoxicity of Mahagony Seed Extracts and Its Nanophytosome Hamidi, Zikri; Sari, Rita Kartika; Prayogo, Yanico Hadi; Syafii, Wasrin; Kasmi, Adinda Zahra Marissa; Prasetyo, Bayu Febram; Harlina, Eva; Wahyudi, Setyanto Tri
Communications in Science and Technology Vol 10 No 2 (2025)
Publisher : Komunitas Ilmuwan dan Profesional Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21924/cst.10.2.2025.1676

Abstract

This present study set out with the objective of evaluating the effect of ethanol–water solvent composition on extraction yield, insulinotropic activity (IA), cytotoxicity, and phytochemical profile (PP) of mahogany (Swietenia mahagoni) seed (MS) extracts. It also sought to study in silico and encapsulate the best extract, and to assay the antidiabetic of the extract and its nanophytosome. The extraction of MSs was achieved through the utilization of ethanol, ethanol–water (1:1), and water through ultrasound–assisted extraction. The extracts of IA and cytotoxicity were assayed in vitro using BRIN–BD11 cell lines and analyzed using LC-MS. The most effective extract was identified for its active compounds using molecular docking, encapsulation, characterization, and testing for its antidiabetic properties in vivo. The highest yield was observed in the water extract (MW), followed by the ethanol–water extract (MEW) and the ethanol extract (ME). MEW and MW demonstrated low level of cytotoxicity, with MEW exhibiting the highest level of IA. An in silico study identified four key antidiabetic compounds through the IA mechanism. The study demonstrated that MEW and its nanophytosome (250 mg/kg mouse weight) effectively reduced blood glucose level, and enhanced both erythrocyte function, and insulin secretion. This finding provides a new perspective in the development of natural-based antidiabetic agents through the nanophytosome formulation of mahogany seed extract.
Co-Authors Abdulloh Rifai Abdur Rahman Arif, Abdur Rahman Agus Kartono Ahmad Aminuddin Ahmad, Faozan Ajeng Widya Roslia Akhiruddin Maddu Alfi Afifah Andry Nur-Hidayat Arba, Muhammad Arba, Muhammad Ardian Arif Arry Yanuar Arwansyah Arwansyah Asoka, Shadila Fira Auliya Ilmiawati Ayu Rahmania Lestari Badrunanto, Badrunanto Bagaskoro Tuwalaid Bayu Febram Prasetyo Charlena Chun Wu Dwi Iryani, Ryscha Dyah Iswantini Dylan James Brunt Eva Harlina Farhan Azhwin Maulana Fikry Awaluddin Fikry Awaluddin Gilbert Fleischer Hamdani Zain Hamidi, Zikri Harry Noviardi Ida Usman Ifwarisan Defri Ilham Kurniawan Ilham Kurniawan Irmanida Batubara Johan D. Sirait Joni Prasetyo, Joni Kania Nur Sawitri Kasmi, Adinda Zahra Marissa LAKSMI AMBARSARI Muhammad Farid Muhammad Sulaiman Zubair Muscifa, Zahra Silmi Nancy Dewi Yuliana Nurmawan, Cucu Putri Palupi, Nurheni Sri Prayogo, Yanico Hadi Rini Kurniasih, Rini Rita Kartika Sari Sakung, Jamaludin Musa Sianipar, Rut Novalia Rahmawati Sri Mulijani Sri Mulyani Sabang Sulaeman, Ahmad Sofyan Tahril Tatik Khusniati Tony Sumaryada Wasrin Syafii Wulan Tri Wahyuni Yuantoro, Yandra Zahra Silmi Muscifa