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All Journal Jurnal Riset Kimia Indonesian Journal of Chemistry AL-HAYAT: Journal of Biology and Applied Biology Jurnal Biosilampari: Jurnal Biologi Stannum : Jurnal Sains dan Terapan Kimia Jurnal Pustaka Mitra : Pusat Akses Kajian Mengabdi Terhadap Masyarakat Indonesian Journal of Community Empowerment and Service Jurnal Pengabdian Masyarakat (JPM) Pinang Masak
Munifilia Ekasari
Program Studi S1-Kimia, F. Saintek Universitas Jambi
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Education Electrical & Electronics Engineering Engineering Languange, Linguistic, Communication & Media Library & Information Science Mathematics Physics Public Health Social Sciences Other

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Journal : Indonesian Journal of Chemistry

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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.
Co-Authors Adelia, Ayu Al Faruqi, Fiqri Anita Dwi Puspitasari Arif, M. Ridwan Avidlyandi, Avidlyandi Azizah Khusnul Charles Banon Denny Prabawa, Aditya Devi Nurhasana Dhian Eka Wijaya Dina Erliana Edwin Permana Endarwati Wiwik Endarwati Faris Hermawan, Faris Fatkhurrachman Fatkhurrachman Fikranzha, Rahul Firdaus, Widani Firdaus, Widani Indah Hartati Indrian, Okta Intan Lestari Khafit Wiradimafan Kodarta, Wahyu Maria Ulfah Marlina, Lala Adetia Morina Adfa Morina Adfa Mudyanto, Andre Muhammad Damris Nur Hikmah Nurhasana, Devi Nurjamil, Dimas Setya Pane, Reza Hotna Uli Pasaribu, Martali Uli Ramdhan, Furkon Risky Hadi Wibowo SALPRIMA YUDHA S Setiyaningrum, Dewi A Setiyaningrum, Dewi A Shari Winda Supriati, Rochmah Triawan Deni Agus Uni Baroroh Husnudin vifta, rissa laila Wibowo Risky Hadi Yudha S Yudha S Yunita Chaya, Helen