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All Journal Indonesian Journal of Cancer Chemoprevention Indonesian Journal of Chemical Analysis (IJCA) Data Science: Journal of Computing and Applied Informatics Jurnal Inovasi Teknik Kimia Stannum : Jurnal Sains dan Terapan Kimia Jurnal Buana Farma Helium: Journal of Science and Applied Chemistry Jurnal Pengabdian Masyarakat Bangsa Diteksi : Jurnal Pengabdian Kepada Masyarakat Helium: Journal of Science and Applied Chemistry
Muhammad Yogi Saputra
Chemistry Department, Institut Teknologi Sumatera, South Lampung, Lampung, 35365
Agriculture, Biological Sciences & Forestry Arts Humanities Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences

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In Silico Analysis of Cucurbitacin IIa and Cucurbitacin IIb as Potential Modulators of Oxidative Stress Regulatory Proteins Sarmoko, Sarmoko; Suprahman, Nisa Yulianti; Putri, Refsya Azanti; Hakim, Ahmad Zammi Autadan; Cahyadi, Dzaky Raihan; Saputra, Muhammad Yogi
Indonesian Journal of Cancer Chemoprevention Vol 15, No 3 (2024)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev15iss3pp224-236

Abstract

Oxidative stress, resulting from imbalance between rective oxygen species (ROS) production and antioxidant defenses, contributes significantly to numerous pathological conditions, including inflammation, cancer and neurodegeneration. Natural compounds with antioxidant properties offer promising therapeutic potential. This study aims to investigate the potential of Cucurbitacin IIa and IIb to modulate oxidative stress regulatory proteins (NOS2, Lipoxygenase, KEAP1, and Xanthine oxidase) using molecular docking approaches. Target protein structures were retrieved from the RSCB Protein Data Bank. Ligand geometries were constructed and optimized using density functional theory. Molecular docking was performed using AutoDock 1.5.6 with a validated docking protocol (RPMS<2Å). Our results demonstrated favorable binding energies for both compounds with NOS2 (-9.75 and -9.57 kcal/mol) and KEAP1 (-8.52 and -9.34 kcal/mol), approaching the affinities of their respective native ligands. Moderate binding was observed with Lipoxygenase (-6.14 and -5.54 kcal/mol), while both compounds showed incompatibility with Xanthine oxidase, as evidenced by highly positive binding energies. The interaction between Cucurbitacins with NOS2, KEAP1 and Lipoxygenase was mediated through hydrogen and hydrophobic interaction. These findings provide mechanistic insight into their bioactivity and support further experimental studies for therapeutic development in oxidative stress-related disorders.Keywords: Cucurbitacin, Molecular docking, Oxidative stress, NOS2, KEAP1.
The Potential of Isoniazid Derivatives as Anti-Tuberculosis Drugs targeting 6MA8: In Silico Study Saputra, Muhammad Yogi; Ivansyah, Atthar Luqman; Maharani, Nabila Aprilia; Kurniawan, Rahmat; Putri, Refsya Azanti; Abshar, Irham Fauzi
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.v5i1.13

Abstract

Tuberculosis (TB) is a contagious disease caused by Mycobacterium tuberculosis. Isoniazid, a synthetic antimicrobial agent, remains one of the most crucial first-line medications in TB therapy. Enhancing TB treatment strategies can be achieved through structural modifications of existing drugs. This study investigates the potential of isoniazid derivatives as anti-tuberculosis agents targeting the CYP3A4 protein complexed with a small-molecule inhibitor (PDB ID: 6MA8) and evaluates their toxicity profiles using in silico methods. The ligands analyzed include isoniazid derivatives 1–5, with isoniazid as a reference compound and protoporphyrin as the native ligand. The structure of ligands was prepared using Avogadro software and optimized with ORCA software. The crystal structures of 6MA8 were retrieved from the PDB database and further validated using YASARA. In silico methods such as molecular docking and ProTox prediction were employed to evaluate the potential of these isoniazid derivatives as anti-TB drugs. The interactions were visualized using Biovia Discovery to assess the interaction between the isoniazid derivatives and the receptor. The results showed derivative 4 exhibited the lowest binding affinity (-71.56 kcal/mol) compared to isoniazid (-65.90 kcal/mol), derivative 1 (-63.65 kcal/mol), derivative 2 (-67.01 kcal/mol), derivative 3 (-67.37 kcal/mol), derivative 5 (-69.02 kcal/mol), and native ligand (-182.68 kcal/mol). Biovia Discovery Studio simulations indicated that the isoniazid derivatives interacted with 6MA8 via conventional hydrogen bonds, carbon-hydrogen bonds, and other interactions. The toxicity analysis showed that the derivatives had safe LD50 values, supporting their safety profiles. These results suggest that isoniazid derivatives have promising potential as anti-tuberculosis agents targeting 6MA8.
Synthesis of Deep Eutectic Solvent (DES) Based on Glycerol and Propylene Glycol as a Medium for Anthocyanin Extraction from Senduduk Flowers (Melastoma sp.) Sari, Indah Puspita; Amalia , Wulan; Saputra, Muhammad Yogi
Indonesian Journal of Chemical Analysis (IJCA) Vol. 9 No. 1 (2026): Indonesian Journal of Chemical Analysis
Publisher : Universitas Islam Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20885/ijca.vol9.iss1.art10

Abstract

Environmental concerns related to the extensive use of conventional organic solvents have driven the development of greener extraction technologies, including the application of deep eutectic solvents (DES) as environmentally friendly alternatives. This study aimed to evaluate the effectiveness of choline chloride–based DES combined with glycerol and propylene glycol as green solvents for anthocyanin extraction from Senduduk flowers (Melastoma sp.) using the ultrasound-assisted extraction (UAE) method. DES were synthesized at a 1:2 molar ratio and characterized based on density, viscosity, pH, moisture content, and functional group analysis using FTIR spectroscopy. The results confirmed the successful formation of DES with suitable physicochemical properties for extraction applications. Both DES systems were able to extract various bioactive compounds, including flavonoids, alkaloids, terpenoids, saponins, and tannins. The highest total anthocyanin content was obtained using choline chloride/glycerol DES (93.29 mg/L), followed by choline chloride/propylene glycol DES (89.06 mg/L). Total flavonoid contents were 86.97 mg QE/g and 85.78 mg QE/g, respectively. Antioxidant activity analysis indicated strong radical scavenging capacity with IC₅₀ values of 70.82 ppm and 72.61 ppm. These findings demonstrate that glycerol- and propylene glycol-based DES are effective green solvents for anthocyanin extraction and show potential for sustainable applications in food, pharmaceutical, and cosmetic industries.
Akselerasi Legalitas Usaha dan Sertifikasi Halal Produk UMKM Penerima Manfaat Program Keluarga Harapan Desa Kalisari Kecamatan Natar Melalui Pendampingan Kimia Terapan dan Kolaborasi Multipihak Saputra, Muhammad Yogi; Indarto, Indarto; Kurniawan, Rahmat; Ashari, Arif; Sari, Indah Puspita; Sitepu, Eunike; Mahza, Meilia; Siregar, Sri Rahayu; Syahputri, Qori Wilis; Sitepu, Asmeilita Br
Jurnal Pengabdian Masyarakat Bangsa Vol. 4 No. 1 (2026): Maret
Publisher : Amirul Bangun Bangsa

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59837/jpmba.v4i1.4221

Abstract

Desa Kalisari, Kecamatan Natar, memiliki jumlah penerima Program Keluarga Harapan (PKH) yang tinggi, di mana sebagian penerima telah mengembangkan usaha mikro berbasis rumah tangga. Meskipun demikian, UMKM tersebut masih menghadapi kendala terkait legalitas usaha dan sertifikasi halal yang menghambat pemasaran, kemitraan, serta akses ke pasar digital. Studi awal mengidentifikasi tiga masalah utama, yaitu rendahnya pengetahuan teknis mengenai bahan baku dan keamanan produk, ketidaktahuan prosedur perizinan dan pengajuan sertifikasi halal, serta kurangnya kolaborasi dengan lembaga pendukung. Untuk mengatasi hal tersebut, tim pelaksana telah menyiapkan modul dan melakukan koordinasi dengan mitra. Kegiatan yang akan dilaksanakan mencakup identifikasi UMKM sasaran, pelatihan teknis dan administrasi, pendampingan penyusunan dokumen legalitas dan sertifikasi halal, memfasilitasi ke instansi terkait, serta monitoring dan evaluasi. Program ini mendukung pencapaian SDG 8 dan SDG 12, serta bertujuan meningkatkan kapasitas UMKM PKH agar lebih kompetitif dan berdaya saing. Melalui kegiatan ini, kualitas UMKM lokal diharapkan meningkat sehingga mampu bersaing pada tingkat regional maupun nasional.
Uji Efektivitas Zeolit Alam Lampung Sebagai Agen Antibakteri Masker Wajah Terhadap Propionibacterium acnes Herlina, Idra; Siregar, Shekinah Glory Aurellia; Putra, Roja Riliyanda; Ismail, Anna Azzahra; Purba, Tiarmauli Natalia; Ramadhani, Ashyfa; Wulanda, Aditya Ayu; Mariyam; Saputra, Muhammad Yogi; Safitra, Edwin Rizki
Jurnal Inovasi Teknik Kimia Vol. 11 No. 2 (2026): APRIL | INTEKA - Jurnal Inovasi Teknik Kimia
Publisher : Fakultas Teknik Universitas Wahid Hasyim

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31942/inteka.v11i2.15080

Abstract

Acne vulgaris is a common skin disorder caused by clogged pores and infection by Propionibacterium acnes. The use of synthetic chemicals in skincare products often leads to side effects, highlighting the need for safer and eco-friendly natural alternatives. Natural zeolite, particularly Lampung Natural Zeolite (ZAL), has potential as an antibacterial agent due to its porous structure and adsorption capacity. This study evaluates the effectiveness of ZAL as an active ingredient in clay mask formulations against P. acnes. ZAL was activated and purified, then formulated into masks with varying concentrations (2.5 g, 5 g, and 7.5 g). Characterization was conducted using IR, XRD, and SEM, while antibacterial activity was tested using the agar diffusion method. Activation improved crystallinity and increased silanol (Si–OH) groups, enhancing antibacterial performance. The 5 g zeolite formulation showed the largest inhibition zone, indicating optimal effectiveness. Overall, ZAL demonstrates strong potential as a natural antibacterial agent for facial mask products.
Co-Authors A.L, Ihza Adzkiya Mubarak Abshar, Irham Fauzi Aji, Abdul Alrando, Raja Aksana Amalia , Wulan Andika Setiawan, Andika Arif Ashari Arif Azhari Arrafi, Muhammad Zhafran Atthar Luqman Ivansyah Ayuwulanda, Aditya Cahyadi, Dzaky Raihan Clara L.A, Cindy Moyna Debora Silalahi Demi Dama Yanti Enggelina, Nia Natalia Ghifari, M. Alvien Habeahan, Angelina Hakim, Ahmad Zammi Autadan Hamdiyah Fuola Zeri Hasibuan Handrizal Hangger Gahara Mawandha Hanifa, Milla Hasna, Naurah Rosyidah Hawa Purnama Celala Ary Cane Herlina, Idra I Putu Mahendra Indah Puspita Sari, Indah Puspita Indarto Indarto Indarto Indarto Indriyanto, Anatasya Irawan, Siti Azara Nayla Ismail, Anna Azzahra Krisnawati, Linda Maharani, Nabila Aprilia Mahza, Meilia Mario, Frisel Mariska, Soraya Mariyam Mariyam Mariyam Mohammad Andri Budiman Muhammad Raffi Zakaria N.S, Yonatan Adi Nirwanto Nirwanto, Nirwanto Nisa Yulianti Suprahman Pastina, Henggis Purba, Tiarmauli Natalia Putra, Roja Riliyanda Rahmadi, Muhammad Zaki Ammar Rahman, M. Arief Rahmat Kurniawan Rahmat Kurniawan Rahmatulllah, Ilham Ramadhani, Ashyfa Refsya Azanti Putri Rohadi, Rahmat Saeli, Pinka Mustika Safitra, Edwin Rizki Sarmoko Sarmoko Sena Maulana Siregar, Shekinah Glory Aurellia Siregar, Sri Rahayu Sitepu, Asmeilita Br Sitepu, Eunike Sukrasno Sukrasno Swandari, Tantri Syahputri, Qori Wilis Syaikhul Aziz Tantri Liris Nareswari Tuta, Gabriell Vanes Sabat Welldone Sartika Windari, Nurul Irna Windasari, Liska Wulanda, Aditya Ayu Yesi, Litri Yoga Anjas Pratama