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All Journal Alchemy : Journal of Chemistry CHEMPUBLISH JOURNAL Jurnal Geografi JMM (Jurnal Masyarakat Mandiri) Indonesian Journal of Chemical Analysis (IJCA) Molekul: Jurnal Ilmiah Kimia Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya Journal of Appropriate Technology for Community Services Jurnal ABDINUS : Jurnal Pengabdian Nusantara Bubungan Tinggi: Jurnal Pengabdian Masyarakat Community Empowerment Jurnal Farmasi dan Sains Indonesia (JFSI) Journal of Experimental and Clinical Pharmacy (JECP) Welfare: Jurnal Pengabdian Masyarakat Bohr: Jurnal Cendekia Kimia NAWASENA: Journal of Community Service Helium: Journal of Science and Applied Chemistry Journal of Pharmascience
Rizki Rachmad Saputra
Department Of Chemistry, Faculty Of Mathematics And Natural Sciences, Universitas Palangka Raya, Palangka Raya, 73112, Indonesia
Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Dentistry Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Neuroscience Nursing Public Health Social Sciences Other

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XYLOKETAL DERIVATIVES FROM XYLARIA SP. AS STRUCTURAL LEADS FOR DUAL MYC/BCL2 AXIS MODULATION FOR DOUBLE-HIT HIGH-GRADE B-CELL LYMPHOMA: A DOCKING-BASED INVESTIGATION Rizki Rachmad Saputra; Retno Agnestisia; Reny Rosalina; Siti Sunariyati; Yohanes Edy Gunawan
Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya Vol. 8 No. 1 (2026): Literasi Artikel Penelitian Kimia
Publisher : Program Studi Kimia, Fakultas MIPA, Universitas PGRI Banyuwangi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36526/jc.v8i1.7402

Abstract

High-grade B-cell lymphoma with concurrent MYC and BCL2 rearrangements, known as double-hit lymphoma, shows rapid tumor growth, strong resistance to apoptosis, and poor response to current therapies, largely because available treatments fail to target both oncogenic drivers at once. This study aimed to identify potential dual modulators of the MYC/BCL2 axis by evaluating xyloketal derivatives using a structure-based pharmacoinformatic approach. A total of twenty-one natural and semi-synthetic xyloketal compounds were prepared and analyzed through molecular docking against BCL2 at the BH3-binding groove (PDB: 4MAN) and the MYC/MAX heterodimer at the leucine zipper interface (PDB: 1NKP). Binding affinity, interaction profiles, and structure–activity relationships were examined using AutoDock Vina and Discovery Studio. The results showed that Xyloketal A achieved the strongest BCL2 binding affinity (−9.1 kcal/mol) while maintaining stable interactions with the MYC/MAX interface (−7.0 kcal/mol), supported by hydrogen bonding with Arg143 and Asp108 and hydrophobic contacts within the BH3 groove. Xyloketal J displayed the highest MYC/MAX affinity (−7.4 kcal/mol) with consistent BCL2 engagement, indicating a MYC-biased but still dual-target profile. Several derivatives, including Xyloketal A, Xyloketal J, and Xyloketal B cinnamyl ether, demonstrated balanced activity across both targets. These findings confirm that xyloketal scaffolds can engage both the BCL2 hydrophobic pocket and the MYC/MAX protein–protein interface, suggesting their potential as dual-target inhibitors. This study provides a clear computational foundation for the design and optimization of multi-target therapeutics aimed at overcoming the aggressive biology of double-hit high-grade B-cell lymphoma.
Gambaran Histopatologi Hati dan Ginjal Mencit (Mus musculus) Setelah Pemberian Ekstrak Daun Bajakah Kalalawit (Uncaria gambir Roxb.) Yohanes Edy Gunawan; Muhammad Priyadi; Shesanthi Citrariana; Rizki Rachmad Saputra; Decenly Decenly; Anisa Rahma Fauziah; Yahya Febrianto; Thathit Suprayogi
Journal of Pharmascience Vol. 11 No. 2 (2024): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v11i2.17733

Abstract

Secara empiris Bajakah Kalalawit (Uncaria gambir Roxb.) telah digunakan oleh masyarakat lokal Kalimantan karena dipercaya dapat menyembuhkan berbagai macam penyakit. Beberapa penelitian telah menunjukkan potensi aktivitas farmakalogis bajakah kalalawit dimulai dari bagian batang, akar dan lainnya. Namun, apabila tidak digunakan dengan tepat maka berpotensi dapat membahayakan penggunanya. Tujuan dari penelitian ini adalah menganalisis aspek toksikologi konsumsi ekstrak air daun bajakah kalalawit melalui gambaran histopatologi organ hati dan ginjal. Ekstraksi daun bajakah kalalawit menggunakan metode refluks dengan pelarut air dan uji histopatologi menggunakan pengamatan mikroskopis histologi pada organ hati dan ginjal mencit jantan (Mus musculus) melalui pemberian dosis ekstrak air daun bajakah kalalawit sebanyak 52,5 mg/KgBB, 105 mg/KgBB, dan 210 mg/KgBB selama 30 hari. Hasil penelitian menunjukkan bahwa pemberian ekstrak air daun bajakah kalalawit selama 30 hari dapat menimbulkan terjadinya degenerasi sel dan nekrosis sel pada organ hati maupun ginjal mencit. Dapat disimpulkan bahwa pemberian ekstrak air daun bajakah kalalawit dengan dosis 52,5 mg/KgBB, 105 mg/KgBB dan 210 mg/KgBB dapat menyebabkan perubahan histologi pada organ hati dan ginjal. Kata Kunci: Histologi, Ekstrak, Toksikologi, Mikroskopis, Nekrosis   Empirically, Bajakah Kalalawit (Uncaria gambir Roxb.) has been used by local Kalimantan communities because it is believed to cure various diseases. Several studies have shown the potential pharmacalogical activity of bajakah kalalawit starting from the stem, root and other parts. However, if not used properly, it can potentially harm the user.. The purpose of this study was to determine the toxicology aspects of consumption of bajakah kalalawit leaf water extract through histopathological images of liver and kidney organs. Extraction of bajakah kalalawit leaves using reflux method with water solvent and histopathology test using microscopic observation of liver and kidney histology of male mice (Mus musculus) which were treated with doses of bajakah kalalawit leaf water extract 52.5 mg/KgBW, 105 mg/KgBW, and 210 mg/KgBW for 30 days.  The results showed that the administration of bajakah kalalawit leaf water extract for 30 days can cause cell degeneration and cell necrosis in the liver and kidney organs of mice. It can be concluded that the administration of bajakah kalalawit leaf water extract at doses of 52.5 mg/KgBW, 105 mg/KgBW, and 210 mg/KgBW may contribute to histologic changes in the liver and kidney.
Targeting Dopamine Transporter (DAT) with Peronema canescens Bioactives: A Molecular Docking Study for Stroke-Related Pain and Sedation Management Rizki Rachmad Saputra; Rifaldi Lutfi Fahmi; Eka Novitasari; Luluil Maknun; Jeddah Yanti; Raiyan Fairozi
Helium: Journal of Science and Applied Chemistry Vol. 5 No. 1 (2025): Helium: Journal of Science and Applied Chemistry
Publisher : Study Program of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Pakuan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33751/helium.v5i1.19

Abstract

Pain and drowsiness are common symptoms of stroke recovery, which can be difficult to manage owing to neurochemical abnormalities in the dopamine system. The Dopamine Transporter (DAT) controls dopamine levels, which influences pain perception and neurological recovery. This study examines bioactive chemicals found in Peronema canescens leaves and their possible interactions with DAT. AutoDock Vina was used to perform molecular docking simulations to determine the binding affinities of Peronemin derivatives (A2, A3, and B2) to the Dopamine Transporter (DAT). The receptor structure (PDB ID: 4M48) was created by eliminating water molecules, introducing polar hydrogens, and optimizing the structure using AutoDockTools. Ligand structures were translated to the proper format, and docking was conducted using a grid box centered on DAT's active site, with an exhaustiveness value of 10. The Peronemin derivatives A2, A3, and B2 demonstrated binding affinities stronger than nortriptyline, native ligand (−10.6, −10.5, and −10.3 kcal/mol, respectively) and binding similarities ranging from 72.2% to 94.4%. These findings suggest that Peronema canescens bioactives may be promising candidates for stroke-related pain and sedative control, warranting further experimental validation.
Bridging abstract concepts and digital literacy: Empowering high school students through ChemDraw training Agnestisia, Retno; Saputra, Rizki Rachmad; Pasaribu, Marvin Horale; Yuliana, Yuliana; Sundari, Rini
Community Empowerment Vol. 11 No. 2 (2026)
Publisher : Universitas Muhammadiyah Magelang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31603/ce.15011

Abstract

High school chemistry learning often struggles with abstract concepts such as molecular structures, chemical bonding, and reaction mechanisms. Utilizing chemical software like ChemDraw offers a viable solution; however, preliminary observations indicate that its adoption remains limited in classrooms. This community service program aims to enhance students' digital visualization capabilities while equipping them with essential technological skills required in 21st-century education. The intervention was delivered through module-based hands-on training, paired with interactive video tutorials to facilitate self-paced learning. The curriculum covered the fundamental ChemDraw interface, organic compound drawing techniques, and reaction mechanism simulations. Post-activity evaluations revealed highly positive outcomes, with 96% of students finding the material accessible and 98% reporting a substantial increase in conceptual knowledge. Ultimately, this training effectively boosted student motivation and fostered a stronger mastery of digital competencies within chemistry education.
Co-Authors Abdul Mannan Abed Nego Purba Abidin, Muh Rais Alfanaar, Rokiy Alonge, Titus Adeyemi Andra Ari P., Eko Marwanto Heru Mulyantoro Dwi Hermayantiningsih Anggun Tanduwinata Anisa Rahma Fauziah Anista, Anista Ansori Rahman Ariska, Risya Aulanni'am Aulanni'am Ayu Puspita Sari Bela D Chian-Yi Liu Citrariana, Shesanthi Decenly Decenly Decenly Decenly Decenly, Decenly Dicky Perwira Ompusunggu Dominikus Diki Wahyudi Dongoran, Junita Dwijayanti, Rts. Sherly Eka Novitasari Erwin Prasetya Toepak Esintia Kristia Fahmi, Rifaldi Lutfi Fauziah, Anisa Rahma Gracia, Amanda Natania Gunawan, Yohanes E Gunawan, Yohanes Edy Haliza , Nur Harianja, Henrigen Helmi Auliyah Istiqomah Imelya, Marsya Jamilah Jamilah Jeddah Yanti Jeddah Yanti Junita Dongoran Kalalinggi, Septaria Yolan Liu, Chian-Yi Luluil Maknun Maknun, Luluil Mannan, Abdul Marvin Horale Pasaribu Mokhamat Ariefin Muh Rais Abidin Muhammad Priyadi Ni Luh Kemmy Caesaria Ni Wayan Prema Mulya Sari Oksal, Efriyana Okta Prianus Paksi, Pandu Gizta Rapi Pramudita, Dimas Prianus, Okta Purba, Abed Nego Qaiyimah, Dinil Raiyan Fairozi Reny Rosalina Reny Rosalina, Reny Retno Agnestisia Retno Agnestisia Rian Ka Praja Riandy Putra Rifaldi Lutfi Fahmi RINI SUNDARI, RINI Sari, Meiyanti Ratna Kumala Shesanthi Citrariana Simangunsong, Sri Yulandari Sisilya, Tahsya Amanda Siska, Amelia Siti Misbah Aisah Siti Sunariyati Sugiyani, Tina Sulistiawati, Putri Suma, Joy Angel Aria syarpin, syarpin Tampubolon, Mulani Jeni Lestari Thathit Suprayogi Titus Adeyemi Alonge Togi Tampubolon Togi Tampubolon Wulandari, Oktavia Rahmi Yahya Febrianto Yahya Febrianto Yanti, Helda Yohanes Edy Gunawan Yohanes Edy Gunawan Yuliana Yuliana Yuliana Yuneta, Yuneta