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All Journal Chemica: Jurnal Ilmiah Kimia dan Pendidikan Kimia Indonesian Journal of Chemistry Journal of Multidisciplinary Applied Natural Science Jurnal Penelitian Bidang Inovasi & Pengelolaan Industri (Invantri)
Faris Hermawan, Faris
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Agriculture, Biological Sciences & Forestry Arts Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Decision Sciences, Operations Research & Management Education Energy Engineering Environmental Science Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mathematics Physics Other

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Design of Hydroxyxanthone Derivatives as Breast Cancer Inhibitors: A QSAR Modeling, Molecular Docking, Molecular Dynamics, MM-PBSA and ADMET Prediction Fatmasari, Nela; Hermawan, Faris; Jumina, Jumina; Kurniawan, Yehezkiel Steven; Pranowo, Harno Dwi; Puspitasari, Anita Dwi; Hastuti, Lathifah Puji; Marlina, Lala Adetia; Putra, Nicky Rahmana
Journal of Multidisciplinary Applied Natural Science Articles in Press
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.283

Abstract

A comprehensive QSAR analysis, in conjunction with molecular docking, molecular dynamics simulations, MM-PBSA binding energy estimations, and ADMET profiling, was conducted to facilitate the development of novel anticancer agents based on hydroxyxanthone derivatives. Molecular and electronic descriptors were calculated using the DFT method with the 3-21G basis set. The best QSAR model identified several descriptors that significantly influence anticancer activity, including the atomic charges at positions C1, C3, C4a, and C7, as well as the highest occupied molecular orbital (HOMO), surface area (SA), molecular volume (VOL), and molecular weight (MW). This model was used to design novel hydroxyxanthone derivatives (X27 to X47). The docking result showed that compounds 7-bromo-3-hydroxy-1-(methylamino)-9H-xanthen-9-one (X43), 6-hydroxy-8-(methylamino)-9-oxo-9H-xanthene-2-carbonitrile (X44), and 3-hydroxy-7-mercapto-1-(methylamino)-9H-xanthen-9-one (X45) had stronger binding energy values than gefitinib as a native ligand. Gefitinib had a binding energy of -6.84 kcal/mol, while those compounds had values of -6.92, -7.12, and -6.92 kcal/mol, respectively. In a molecular dynamics simulation of 100 ns, compounds X43, X44, and X45 exhibited stability comparable to that of gefitinib against the EGFR protein. Additionally, the binding energy MM-PBSA of compound X43 was the lowest (-29.18 kcal/mol), followed by X44 (-27.11 kcal/mol), gefitinib (-26.06 kcal/mol), and X45 (-25.21 kcal/mol). Furthermore, these compounds met Lipinski's rule parameters and the minimal standard parameters in terms of ADMET characteristics, as predicted by physicochemical properties. In conclusion, compounds X43, X44, and X45 are potential anticancer agents for MDA-MB-231 breast cancer cells.
Free Radical Scavenging Activity of Chlorochalcones: An Integrated Computational and Experimental Study Puspitasari, Anita Dwi; Ulfah, Maria; Hartati, Indah; Vifta, Rissa Laila; Hermawan, Faris; Ekasari, Munifilia; Marlina, Lala Adetia
Indonesian Journal of Chemistry Vol 25, No 5 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.106221

Abstract

Chlorochalcone derivatives (chalcones 1–3) were synthesized using ultrasound-assisted Claisen-Schmidt condensation, yielding > 80%. Antioxidant activity was evaluated through DPPH and ABTS assays, demonstrating strong activity with IC50 values ranging from 61.52 ± 0.97 to 98.27 ± 1.42 ppm. Chalcones 1 and 2 show SPF potential at 40 ppm and chalcone 3 at 20 ppm (SPF 19.47 ± 0.46). ADMET analysis using the pkCSM tool confirmed favorable pharmacokinetic profiles and low toxicity, supporting their safety for potential applications. Additionally, density functional theory calculations provided more profound insights into molecular stability and reactivity, including electronic properties such as HOMO-LUMO gaps, further corroborating their pharmacological efficacy. These results collectively indicate that chalcones 1–3 exhibit potent antioxidant activity, adequate UV protection, and promising pharmacokinetic properties. Integrating in vitro, in silico, and DFT analyses underscores their potential as multifunctional compounds for antioxidant and sunscreen applications.
Pengembangan SmartClimaPack Bioplastik dari Pati Onggok, Selulosa Jagung, dan Minyak Sereh John, Grace Putri; Assyafaqi, Aqila Ulinnuha; Rahmi, Fadila Tul; Supriadi, Gilang Reynaldy; Ramdhan, Mohamad Alief; Hermawan, Faris; Muliawati, Nindya Tri
Chemica: Jurnal Ilmiah Kimia dan Pendidikan Kimia Vol 26, No 2 (2025): CHEMICA
Publisher : Jurusan Kimia FMIPA UNM

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35580/chemica.v26i2.76936

Abstract

ABSTRAKPlastik konvensional telah banyak digunakan dalam kehidupan modern, namun produksinya masih bergantung pada sumber daya fosil yang bersifat non-biodegradable dan berdampak buruk bagi lingkungan. Oleh karena itu, penelitian ini bertujuan untuk mengembangkan SmartClimaPack bioplastik berbahan dasar pati onggok dan selulosa tongkol jagung yang diperkaya minyak atsiri sereh sebagai kemasan aktif biodegradable untuk memperpanjang umur simpan buah klimaterik. Bioplastik dibuat melalui proses ekstraksi minyak sereh dan delignifikasi tongkol jagung, kemudian dikarakterisasi dengan uji kadar air, ketahanan air, biodegradabilitas, dan FTIR. Hasil menunjukkan bahwa bioplastik memiliki kadar air sebesar 15,77%, ketahanan air 91,00%, nilai swelling 9,0%, dan persentase degradasi mencapai 76% dalam 13 hari. Analisis FTIR mengonfirmasi adanya gugus fungsional yang saling berinteraksi melalui ikatan hidrogen pada matriks bioplastik. Dengan demikian, SmartClimaPack berpotensi menjadi kemasan aktif ramah lingkungan yang tidak hanya melindungi produk, tetapi juga memperpanjang umur simpan buah.Kata Kunci: Bioplastik, Pati, Selulosa, SmartClimaPackABSTRACTConventional plastics have been widely used in modern life; however, their production still relies on fossil-based resources that are non-biodegradable and environmentally harmful. Therefore, this study aims to develop SmartClimaPack, a bioplastic derived from cassava starch residue and corn cob cellulose enriched with lemongrass essential oil, designed as an active biodegradable packaging to extend the shelf life of climacteric fruits. The bioplastic was produced through lemongrass oil extraction and corn cob delignification, followed by evaluations of moisture content, water resistance, swelling, biodegradability, and FTIR analysis. The results revealed that the bioplastic exhibited a moisture content of 15.77%, water resistance of 91.00%, swelling value of 9.0%, and biodegradation rate of 76% within 13 days. FTIR analysis confirmed the presence of functional groups interacting through hydrogen bonding within the bioplastic matrix. Thus, SmartClimaPack demonstrates strong potential as an eco-friendly active packaging material that not only provides physical protection but also extends fruit shelf life.
ANALISIS PERENCANAAN BAHAN BAKU MENGGUNAKAN MATERIAL REQUIREMENT PLANNING DENGAN PERBANDINGAN BEBERAPA LOT SIZING: STUDI KASUS UKM TAHU Hermawan, Faris; Sumarsono; Nur Muflihah; Fatma Ayu Nuning Farida Afiatna
INVANTRI (Inovasi Dan Pengelolaan Industri) Vol 5 No 2 (2026): Februari
Publisher : Teknik Industri, Fakultas Teknik, Universitas Hasyim Asy'ari

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33752/invantri.v5i2.9783

Abstract

Penelitian ini bertujuan untuk merencanakan kebutuhan bahan baku dan menyusun penjadwalan pengadaan bahan baku secara optimal menggunakan metode Material Requirement Planning (MRP) pada UKM Tahu Pak Miaji. UKM Tahu masih menggunakan sistem pemesanan bahan baku kedelai secara harian tanpa perencanaan jangka panjang, yang menyebabkan tingginya biaya pemesanan dan potensi ketidakefisienan dalam pengelolaan persediaan. Metode yang digunakan meliputi tahap peramalan kebutuhan bahan baku dengan Software Minitab dan analisis beberapa metode Forecasting seperti Holt-Winters, serta penentuan ukuran lot (Lot Sizing) menggunakan metode Lot for Lot (LFL), Economic Order Quantity (EOQ), Period Order Quantity (POQ), dan Least Unit Cost (LUC). Hasil penelitian menunjukkan bahwa metode peramalan terbaik adalah Holt-Winters Additive dengan nilai Mean Absolute Deviation (MAD) terendah sebesar 397. Berdasarkan 4 metode pendekatan untuk penentuan lot, yaitu LFL, EOQ, POQ, dan LUC. Metode POQ menghasilkan total biaya pengadaan paling rendah sebesar Rp. 2.553.128.168. Dibandingkan dengan sistem pemesanan harian UKM yang menghasilkan total biaya sebesar Rp. 2.629.536.668. Penerapan metode MRP mampu menekan biaya pengadaan bahan baku pada UKM Tahu. Dengan demikian, MRP terbukti efektif dalam mengoptimalkan pengadaan bahan baku, mengurangi biaya, dan mendukung kelancaran proses produksi di UKM Tahu.
Co-Authors Anita Dwi Puspitasari Assyafaqi, Aqila Ulinnuha Fatmasari, Nela Harno Dwi Pranowo Indah Hartati John, Grace Putri Jumina Jumina Kurniawan, Yehezkiel Steven Lathifah Puji Hastuti Maria Ulfah Marlina, Lala Adetia Muflihah, Nur Muliawati, Nindya Tri Munifilia Ekasari Putra, Nicky Rahmana Rahmi, Fadila Tul Ramdhan, Mohamad Alief Sumarsono Supriadi, Gilang Reynaldy vifta, rissa laila