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In Silico Study of Bioactive Compounds in Herba Sambiloto (Andrographis paniculata Burm. F. Nees) as HIV-1 Reverse Transcriptase Inhibitor Prasetiyo, Andri; Martati, Titiek; Saputra, Putri Windari
Jurnal Jamu Indonesia Vol. 9 No. 2 (2024): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v9i2.300

Abstract

A medicinal plant known as sambiloto (Andrographis paniculata Burm. F. Nees) contains certain active compounds that potentially are anti-HIV. However, it is not yet known which compounds are involved in inhibiting HIV activity. This study aimed to identify potentially active compounds from the sambiloto plant that could inhibit the HIV-1 reverse transcriptase enzyme using the in-silico method. In silico methods that will be carried out are internal validation, molecular docking, ADMET prediction, and molecular dynamics. The molecular docking results showed that the five best compounds have potential as anti-HIV drugs compared to efavirenz with the rerank score -152.119 until -125.177 kcal/mol. In contrast, the rerank score of the comparison ligand is -94.7639 kcal/mol. The ADMET prediction showed that the selected compounds have a good pharmacokinetics profile and are nontoxic. The molecular dynamic results showed that deoxy-11,12-didehydroandrographiside and andropraphiside are stable and have potential as anti-HIV drugs with average RMSD values of 1.88 and 2.02 Å while the comparison ligand is 1.67 Å.
POTENSI SENYAWA DAUN TEH PUTIH (Camelia sinensis L.) SEBAGAI INHIBITOR ENZIM (Dipeptidyl peptidase) DPP4 Prasetiyo, Andri; Hakim, Zainur Rahman; Yamin, Muhammad; Maulinda, Elvi Sahri; Megawati, Megawati; Shaquille, Haikal
INDONESIA NATURAL RESEARCH PHARMACEUTICAL JOURNAL Vol 8, No 2 (2023)
Publisher : Fakultas Farmasi Universitas 17 Agustus 1945 Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52447/inrpj.v8i2.7154

Abstract

Penemuan obat antidiabetes terus dilakukan demi mendapatkan obat yang efektif, aman, dan aktivitasnya yang dapat menghambat enzim dipeptidyl peptidase (DPP4). Penelitian ini dimaksudkan untuk mengidentifikasi senyawa aktif dari daun teh putih (Camelia sinensis L.) yang beraktivitas antidiabetes dengan menghambat aktivitas enzim DPP4. Sejumlah 250 g serbuk daun teh putih dimaserasi dengan etanol 70% lalu disaring dan dipekatkan sampai diperoleh ekstrak kental. Ekstrak dipreparasi dan dilarutkan dengan etanol serta disaring dengan filter mikro lalu disuntikkan kedalam UPLCMS/MS untuk diidentifikasi kemungkinan senyawa. Salah satu senyawa aktif kemudian dilakukan molekular docking sampai didapatkan nilai RMSD yang terbaik. Hasil didapatkan ekstrak kental, berbau khas, merah kecoklatan dengan rendemen 13,6%. Analisis LCMS memperlihatkan adanya senyawa aktif di dalam daun teh putih salah satunya yaitu senyawa dengan bobot (m/z 459) cocok dengan senyawa epigallocathecin gallat (EGCG). Hasil docking senyawa dari daun teh putih diperoleh tingkat afinitas paling tinggi dengan enzim DPP4 yaitu pada senyawa EGCG dengan nilai moldock score -182, 326 dan rerank score rendah -125,291, yang membuktikan adanya penghambatan DPP4 sehingga hormon insulin dapat stabil dan berpotensi sebagai obat antidiabetes dari bahan alam.
Anchoring Analysis and Simulation of Molecular Dynamics of Dayak Onion Plant Compounds (Eleutherine bulbosa (Mill.) URB.) As an Antibacterial Candidate for Methicillin Resistant Staphylococcus aureus Pratamaa, Yuga; Rina Herowati; Nuraini Harmastuti; Andri Prasetiyo
International Journal of Contemporary Sciences (IJCS) Vol. 1 No. 3 (2024): January 2024
Publisher : PT FORMOSA CENDEKIA GLOBAL

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55927/ijcs.v2i1.8334

Abstract

MRSA infection that is growing and limited treatment is evidence that the handling and treatment of the disease is still inadequate so that appropriate drugs are needed as antibacterial against MRSA, the development of natural products, one of which is the dayak onion plant (Eleutherine bulbosa) which has the potential as antibacterial can be done with computational methods, one of which is molecular tethering, molecular dynamics and ADMET prediction. This study aims to predict the ability of natural compounds from dayak onions as antibacterial MRSA. Tethering and molecular dynamics are performed using AutoDock 4.2 and Yasara Dynamic software. The results showed that compounds with the greatest antibacterial potential were eleucanainones with binding energy of -11.91kcal / mol. The results of molecular tethering are then continued with molecular dynamics simulations. The results of molecular dynamics simulations show that the compound has a Root Mean Square Deviation (RMSD) value that is close to the native ligand. Conclusion: Dayak onion compounds (Eleutherine bulbosa) have potential as antibacterial MRSA
Analysis of Molecular Docking and Dynamics Simulation of Mahogany (Swietenia macrophylla King) Compounds Against the PLpro Enzyme SARS-COV-2 Lalu Sanik Wahyu Fadil Amrulloh; Nuraini Harmastuti; Andri Prasetiyo; Rina Herowati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 10 No. 3 (2023): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v10i32023.347-359

Abstract

Background: Using natural ingredients as antivirals can be considered a treatment for SARS-CoV-2. One of the potential plants, mahogany (Swietenia macrophylla King), is widely used in various countries as an antiviral treatment. Paparin-like protease (PLpro) is an essential cysteine "‹"‹protease that regulates viral replication and interferes with the regulation of immune sensing. Objective: This study aims to predict which compounds in the mahogany plant have good affinity, patterns, and stability interaction against the target protein of SARS-CoV-2. Methods: The drug-likeness parameter using SwissADME was used to screen compounds that will be docked against PLpro using the Autodock program. The parameters observed in molecular docking analysis are the value of bond energy and interaction model to amino acid residues. The compounds in mahogany plants that have the best interactions were then analyzed using molecular dynamics simulation methods to determine the stability of their bonds based on the values of Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF). Results: Twenty-two compounds met the drug-likeness requirements. Molecular docking analysis showed that the compounds predicted to have the best binding affinity and have an interaction pattern similar to natural ligands towards the molecular target of PLpro are 7-deacetoxy-7-oxogedunin and 3β-hydroxy-stigmast-5-en-7-one. The molecular dynamics simulation results revealed that based on the RMSD and RMSF values, the compound 3β-hydroxy-stigmast-5-en-7-one showed higher stability than 7-deacetoxy-7-oxogedunin. Conclusion: 3β-hydroxy-stigmast-5-en-7-one and 7-deacetoxy-7-oxogedunin were predicted to have good interaction with PLPro; however, 3β-hydroxy-stigmast-5-en-7-one showed the higher interaction stability.
SOSIALISASI OLAHRAGA TRADISIONAL DALAM RANGKA PEMAJUAN KEBUDAYAAN INDONESIA Rachman, Fadlu; Armanjaya, Satria; Fajar Ramadhan, Ziko; Prasetiyo, Andri; Sari, Felinda; Nuruhidin, Ahmad; Gumay, Jovana Renaldy; Sodik, Alfan Nur
Mitra Mahajana: Jurnal Pengabdian Masyarakat Vol. 6 No. 2 (2025): Volume 6 Nomor 2 Juli 2025
Publisher : LPPM Universitas Flores

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37478/mahajana.v6i2.5854

Abstract

Cultural advancement is an essential component of maintaining national identity, including the preservation of traditional sports that are being abandoned by the younger generation. This Community Service activity aims to increase students' knowledge and participation in traditional sports as a form of preserving local culture. The targets of the activity are students at three partner schools: SMAN 1 Gading Rejo, SMAN 2 Gading Rejo, and SMK Patria, who have not received direct learning about traditional sports. The implementation method includes education through interactive counselling, direct practice of various conventional games (engklek, running blocks, congklak, dompu), and provision of learning media such as modules, leaflets, and video documentation. Evaluation was carried out through participatory observation, questionnaires, and interviews with students and teachers. The results of the activity showed that 87% of students were new to and playing traditional games, while 92% expressed interest in playing them again. In addition, teachers welcomed this activity and saw its potential for integration into PJOK learning and extracurricular activities. It was concluded that the socialisation of traditional sports was effective in fostering cultural awareness and students' love for local heritage. It is hoped that this activity can be replicated in other schools as part of the strategy to advance Indonesian culture.
Pengaruh Edukasi Bahan dan Urgensi Penekanan Waktu terhadap Keputusan Pembelian Skincare "Sofia Skin Solution" pada Live Commerce dimediasi Perceived Value Shofiyah; Prasetiyo, Andri; Ahmar, Nurmala; Wirabrata, I Gede Made
PendIPA Journal of Science Education Vol 9 No 3 (2025): October
Publisher : UNIB Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33369/pendipa.9.3.826-835

Abstract

Live streaming is changing the digital marketing landscape, especially in the skincare industry. This research aims to examine the influence of ingredients education and time pressure on consumer purchasing decisions on “Sofia Skin Solution” products, with perceived value as a mediating variable. The research was conducted with a quantitative approach through a survey of 200 respondents active in the live streaming session. Data were analyzed using Structural Equation Modeling (SEM) based on Partial Least Squares (PLS). Results showed that ingredient education positively influenced perceived value (T-value = 6.104; p = 0.000), as did time pressure (T-value = 6.339; p = 0.000), with time pressure showing a slightly more dominant influence. Perceived value alone exerted the strongest influence on purchasing decisions (T-value = 5.512; p = 0.000), and was shown to fully mediate the relationship between ingredient education and purchasing decisions, as well as partially mediating the influence of time pressure on purchasing decisions. The direct effect of content education on purchasing decisions is not statistically significant, but is at the threshold, which crucially indicates the role of other factors such as brand image and host credibility. Findings confirm the importance of live streaming scripts that balance concise product information with short promotions to build trust and enthusiasm. Managerial implications suggest companies design short ingredient demonstrations followed by short offers to maximize conversions on live commerce platforms.
Systematic Literature Review: Pengaruh Permainan Tradisional Terhadap Kelincahan Siswa Sekolah Dasar Rachman, Fadlu; Prasetiyo, Andri; Rahmat, Ayi; Nuruhidin, Ahmad
Jurnal Porkes Vol 8 No 3 (2025): December: Article in Progress
Publisher : Universitas Hamzanwadi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29408/porkes.v8i3.31872

Abstract

Traditional games contribute significantly to improving the agility of elementary school students. However, technological developments and lifestyle changes have led to a decline in physical activity among children. This study aims to systematically examine the impact of traditional games on the agility of elementary school students. The method used is a systematic literature review (SLR) by analyzing published research between 2019 and 2024 through Google Scholar, SINTA, and Publish or Perish. Of the 40 articles identified, 7 articles met the inclusion criteria. The results of the analysis showed that gobak sodor was able to increase agility by up to 67.5%, while bentengan increased agility by 9.7%. In addition, the games of lari balok, hadang, and sepak beleg were also proven to be effective in increasing students' agility. Compared to conventional exercises, traditional games are more interactive and can increase students' motivation to practice. In conclusion, traditional games can be applied as an effective strategy in physical education to develop the agility of elementary school students. Therefore, teachers, policymakers, and parents need to integrate traditional games into children's physical activities to support their motor development and fitness.
Co-Authors Ade Yeni Aprilia Aey Fadilah, Yasin Agustia, Rini Ahmad Nuruhidin Alwie, Rakhmat Ramdhani Armanjaya, Satria Audrey, Cresentia Bambang Pontjo Priosoeryanto Bastian, Arif Alexander Bella Rofi Bungsudi Desi Nadya Aulena Dhani, Muhammad Esti Mumpuni Esti Mumpuni Esti Mumpuni, Esti Evi Susanti Fadlu Rachman Fajar Ramadhan, Ziko Fitry Angger Pangestu Gayatri Indah Pramesti Gumay, Jovana Renaldy Hakim, Zainur Rahman Hutagaol, Lungguk Indriani, Aqilah Idelia Julian Rahmat Lalu Sanik Wahyu Fadil Amrulloh Lidya Luziana Lilik Sulastri Lilik Sulastri LUNGGUK HUTAGAOL Lungguk Hutagaol Luziana, Lidya Marlien Bokko Martati, Titiek Maulinda, Elvi Sahri Mawijaya, Agus Megawati - Muhamad Yamin Muhamad Yamin Muhammad Yamin Muhammad Zulfadhli, Muhammad Mulatsari, Esti Nabila Prihantini Khairunnisa Natthawani, Amitta Nawasiah, Nana Novi Yantih Noviyantih, Noviyantih NURAINI HARMASTUTI Nurmala Ahmar Nuruhidin, Ahmad Panca Bayu Chandra, Pra Pratama, Rendy Yudha Pratamaa, Yuga Rachman, Fadlu Rachmi Ridho Rahmat, Ayi Ramadhan, Islami Al-Kaffah Ramadhani, Karina Natasya Ramani, Sofyan Raymond R. Tjandrawinata Rhahmadini, Yahdi Thia Risna Rosmiyati Saeful Amin Saeful Amin Salsabila Adlina Saputra, Putri Windari Sarah Annisaa Nurwan Sari Dewi, Rika Sari, Felinda Sekar Harsti Rahmadhani Shaquille, Haikal Shirly Kumala Shofiyah Simanjuntak, Josua Donrio Simanjuntak, Vino Soaduon Siswandono, Siswandono Sodik, Alfan Nur Syaifurrohman, Amir Syamsudin Abdillah Syifa Aulia Taqwa, Iqbal Ananda Ulfa Isni Kurnia Utami, Santi Yanuarti Winana Kartika Dewi Wirabrata, I Gede Made Wiwi Winarti Yogaswara, Amira Thufailla Zahra, Nurulita Az Ziko Fajar Ramadhan, Ziko Fajar