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All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Indonesian Journal of Pure and Applied Chemistry Jurnal Puan Indonesia Journal of Pharmaceuticals and Natural Sciences Indonesian Journal of Mathematics and Natural Sciences Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice)
Gabriel, Kevin
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Economics, Econometrics & Finance Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Medicine & Pharmacology Public Health Other

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STUDI IN SILICO METABOLIT SEKUNDER DALAM TANAMAN TAHONGAI (Kleinhovia hospita L.) SEBAGAI KANDIDAT AGEN TERAPI KARSINOMA HEPATOSELULER TERTARGET RESEPTOR c-MET (IN SILICO STUDY OF SECONDARY METABOLITES IN TAHONGAI PLANT(Kleinhovia hospita L.) AS A CANDIDATEFOR HEPATOCELLULER CARCINOMA THERAPEUTIC AGENT TARGETING c-MET RECEPTOR) Cahyaningrum, Lydia; Rubianti, Retno; Mahira, Tsania; Gabriel, Kevin; Rusdin, Agus; Novitasari, Dhania
Indonesian Journal of Pure and Applied Chemistry Vol 7, No 2 (2024)
Publisher : Tanjungpura University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26418/indonesian.v7i2.82567

Abstract

Hepatocellular carcinoma (HCC) is the fourth leading cause of cancer-related mortality in the world, mainly caused by chronic disease or virus. Prior studies have documented that the upregulation of c-MET can trigger the cancer progression, hence c-MET has been widely explored as target therapy for HCC. Tahongai plant (Kleinhovia hospita L.) has known to possess several biological effects, including anticancer activity. However, the molecular mechanism in this plant has not been studied yet. In this study, the bioactive constituents from Tahongai were evaluated based on the physicochemical features and molecular interaction in c-MET through in silico approaches. The druglikeness of each compound was checked through SwissADME, while the pharmacokinetic profile was predicted through preADMET webtool. The pharmacophore screening and molecular docking against c-MET were assessed using LigandScout and Autodock, respectively. Out of 14 selected compounds, only one (astragalin) did not pass the Lipinski rule, and most of the compounds demonstrated good ADMET profile. Eleutherol was choosen as the hit compound based on pharmacophore studies, and stibostemin G was potential to inhibit c-MET based on similar molecular interaction compared to its native ligand through molecular docking analysis. Further confirmation is urged to prove its anticancer effect from Tahongai against HCC, particulary targeting on c-MET
Sosialisasi Penyusunan Laporan Keuangan Sederhana bagi UMKM Ikan Bawal yang Memakai Pakan Alami di Jampang Sukabumi Setya, Andhika Putra; Gabriel, Kevin; Pratama, Rudi Alfajar; Bangun, Virgina Septiani; Damayanty, Prisila; Setiawan, Indra
PUAN INDONESIA Vol. 6 No. 2 (2025): Jurnal Puan Indonesia Vol 6 No 2 Januari 2025
Publisher : ASOSIASI IDEBAHASA KEPRI

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37296/jpi.v6i2.343

Abstract

Pengabdian kepada masyarakat merupakan salah satu bentuk kegiatan dengan tujuan membantu usaha masyarakat. Hingga saat ini masih banyak Usaha Mikro Kecil Menengah (UMKM) yang mengalami kesulitan dalam penyusunan laporan keuangan. Oleh karena itu, Kelompok pengmas kami ingin hadir untuk mensosialisasikan cara penyusunan laporan secara sistematis dan sesuai dengan Standar Akuntansi Keuangan. Kegiatan ini dilakukan untuk UMKM yang mempunyai usaha ternak ikan bawal yang beralamat di Desa Pasir Halang, Kecamatan Sukaraja, Kabupaten Jampang Sukabumi, Provinsi Jawa Barat. Kelompok pengmas kami melakukan wawancara untuk mendapatkan data yang dibutuhkan. Setelah melakukan wawancara dengan kegiatan tersebut, kami mendapat informasi bahwa pelaku usaha UMKM di desa belum dapat menyusun laporan keuangan sesuai dengan standar akuntansi.
Studi in Silico Senyawa Metabolit Sekunder Daun Kenikir (Cosmos Caudatus Kunth.) Sebagai Antikanker Ovarium terhadap ESR-1 Gabriel, Kevin; Hidayat, Nafisa Nurfatia; Khaerani, Fitri Azlia; Gaharani , Prodio Efa
Indonesian Journal of Mathematics and Natural Sciences Vol. 47 No. 2 (2024): Volume 47 Nomor 2 Tahun 2024
Publisher : Universitas Negeri Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/s43fsj13

Abstract

Ovarian cancer is one of the diseases with a high mortality rate through estrogen receptor alpha (ESR1) as one of the causes of ovarian cancer. Current therapies for ovarian cancer can cause side effects and are expensive. Therefore, alternative therapies with fewer side effects and more affordable costs are needed.  One of the herbs that is rich in flavonoid and phenolic acid content which has anticancer activity with its mechanism as a trigger for apoptosis in ovarian cancer cells is Kenikir leaf (Cosmos caudatus). The study was conducted through pharmacophore screening and molecular docking methods in silico with ESR-1 receptor (PDB code:1SJ0). In addition, absorption, distribution, and toxicity predictions were also carried out through the PreADMET page and the Lipinski Rule of Five suitability test. The results of this study concluded that luteolin is the most potential compound as an ESR-1 receptor inhibitor with a pharmacophore fit-score value of 51.36, binding energy of -8.43 kcal/mol, inhibition constant of 66.366x10-2 µM, and hydrogen bonds as ligand-receptor interactions.
Catechin from Avocado Seed (Persea Americana Mill.) Potentially Targets Estrogen Receptor-Alpha: Computational-Based Analysis Aulia, Martiza; Rosani, Fahrana; Romadhona, Tarisa Nurafni; Kinanti, Lintang Gusti; Gabriel, Kevin; Rusdin, Agus; Novitasari, Dhania
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 10, No 3 (2025): October 2025
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v10i3.10666

Abstract

Avocado seeds (Persea americana Mill.) are known to possess various pharmacological properties, including notable anticancer potential. While preliminary studies have reported the cytotoxic effects of avocado seed extracts on breast cancer cells, there is still a lack of comprehensive research exploring the underlying molecular mechanisms responsible for these effects. This study explores bioactive compounds found in avocado seeds as potential agents targeting estrogen receptor alpha (ERα), a key biomarker in breast and cervical cancers. The investigation employs a range of computational approaches, including the Lipinski Rule of Five, ADME/Tox predictions, pharmacophore screening, and molecular docking analysis. Of the ten tested compounds, seven passed the Lipinski Rule of Five. ADME/Tox analysis revealed that most compounds exhibited adequate human intestinal absorption (HIA), poor blood-brain barrier (BBB) penetration, moderate Caco-2 permeability, and good plasma protein binding (PPB), while some were predicted to be mutagenic or carcinogenic. Pharmacophore modeling yielded an AUC of 0.87, with procyanidin B scoring 45.09 as a hit compound. Molecular docking revealed catechin, hyoscyamine, and atropine had the lowest Gibbs free energy (-5.15, -0.10, -0.07 kcal/mol). Among the compounds, catechin in avocado seed shows the highest potential for development as an ER-targeted anticancer agent.
Sinensetin pada Biji Pinang (Areca catechu) sebagai kandidat COX-2 Inhibitor pada Osteoarthritis: Studi In Silico Maharani, Anisa; Nurhaliza, Muthiah; Azzahra, Iqlima; Cindy, Cindy; Gabriel, Kevin; Rusdin, Agus; Novitasari, Dhania
Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice) Vol. 12 No. 2 (2025): October
Publisher : Faculty of Pharmacy, Widya Mandala Surabaya Catholic University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33508/jfst.v12i2.5756

Abstract

Osteoarthritis (OA) merupakan penyakit peradangan sendi degeneratif akibat kerusakan tulang rawan yang termasuk ke dalam 10 besar penyakit lansia paling umum di Indonesia. COX-2 inhibitor secara selektif menginhibisi aktivitas enzim COX-2 sehingga menimbulkan efek analgesik dan antiinflamasi yang dapat mengurangi rasa sakit pada pasien osteoarthritis.  Berdasarkan penelitian yang telah ada, ekstrak biji pinang berpotensi menurunkan inflamasi sendi lutut. Tujuan dari penelitian ini adalah untuk menemukan kandungan bioaktif dalam biji pinang (Areca catechu) yang potensial sebagai antiinflamasi dan agen terapi baru pada OA melalui pendekatan komputasi secara in silico dengan molecular docking berdasarkan energi ikatan (∆G), konstanta inhibisi (KI), dan interaksi ikatan. Hasil molecular docking menunjukkan senyawa sinensetin memiliki energi ikatan terbaik yaitu -9,52 kcal/mol dan paling mendekati energi ikatan celecoxib yaitu -11,09 kkal/mol. Adapun konstanta inhibisi senyawa sinensetin yaitu 104,30 μM dan interaksi ikatan dengan reseptor COX-2 menunjukkan adanya interaksi ikatan hidrogen ILE A:503; ikatan karbon-hidrogen SER A:339; ikatan pi-sigma VAL A:509; ikatan alkyl VAL A:335, TRP A:373, LEU A:370; ikatan pi-alkyl VAL A:509. Oleh karena itu, sinensetin pada biji pinang berpotensi untuk dijadikan sebagai kandidat antiinflamasi khususnya untuk terapi osteoarthritis.
Uncovering Anti-Obesity Candidates from Robusta Green Coffee: In Silico Evaluation of Bioactive Compounds Targeting PPAR-α Mahardika, Bintang Satrio; Putri, Viona Algesia Fiola; Putri, Yolla Adellia; Jasimah, Jasimah; Gabriel, Kevin; Rusdin, Agus; Novitasari, Dhania
Journal of Pharmaceuticals and Natural Sciences Vol. 2 No. 3 (2025): J. Pharm. Nat. Sci.
Publisher : B-CRETA Publisher (CV. Borneo Citra Kreatama)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70392/jpns.v2i3.40

Abstract

Obesity arises from a chronic imbalance between energy intake and expenditure, leading to excessive accumulation of body fat. Peroxisome proliferator-activated receptor-alpha (PPARα) plays a key regulatory role in lipid metabolism, particularly in reducing the de novo synthesis of fatty acids. Robusta coffee has been widely consumed as part of the lifestyle, yet scientific evidence for its pharmacological effects is limited. This study aimed to evaluate the molecular interactions between secondary metabolites from Green Bean Coffee Robusta (Coffea canephora P.) and PPARα using in silico approaches. The workflow included screening compounds from C. canephora based on Lipinski’s Rule of Five (RO5) and ADMET predictions, followed by pharmacophore modelling and molecular docking simulations using AutoDock against PPARα (PDB ID: 2P54). All the bioactive constituents in C. canephora met the requirements of RO5, and several metabolites were assessed based on their pharmacokinetic profile and toxicology prediction. Further molecular docking analysis identified 4-ethyl-2-methoxyphenol as the most promising anti-obesity candidate, demonstrating the lowest binding energy (-4.58 kcal/mol) and an inhibition constant of 440.47 µM. The compound formed key hydrogen bonds with amino acid residues ALA333, THR279, CYS276, and CYS275. These findings suggest that 4-ethyl-2-methoxyphenol from Green Bean Coffee Robusta exhibits potential as an anti-obesity agent through its interaction with the PPARα receptor. Further in vitro and in vivo studies are required to validate its pharmacological effects.
Co-Authors Aulia, Martiza Azzahra, Iqlima Bangun, Virgina Septiani Cahyaningrum, Lydia CINDY CINDY Gaharani , Prodio Efa Hidayat, Nafisa Nurfatia Indra Setiawan Jasimah, Jasimah Khaerani, Fitri Azlia Kinanti, Lintang Gusti Maharani, Anisa Mahardika, Bintang Satrio Mahira, Tsania Novitasari, Dhania Nurhaliza, Muthiah Pratama, Rudi Alfajar Prisila Damayanty Putri, Viona Algesia Fiola Putri, Yolla Adellia Romadhona, Tarisa Nurafni Rosani, Fahrana Rubianti, Retno Rusdin, Agus Setya, Andhika Putra